# generated using pymatgen
data_LiNb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78614844
_cell_length_b   7.78614908
_cell_length_c   17.11503300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.28855871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb(PO3)4
_chemical_formula_sum   'Li4 Nb4 P16 O48'
_cell_volume   1020.90008957
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.20574100  0.08698800  0.63976000  1
  Li  Li1  1  0.91301200  0.79425900  0.86024000  1
  Li  Li2  1  0.79425900  0.91301200  0.13976000  1
  Li  Li3  1  0.08698800  0.20574100  0.36024000  1
  Nb  Nb4  1  0.58600000  0.98110200  0.86657500  1
  Nb  Nb5  1  0.01889800  0.41400000  0.63342500  1
  Nb  Nb6  1  0.41400000  0.01889800  0.36657500  1
  Nb  Nb7  1  0.98110200  0.58600000  0.13342500  1
  P  P8  1  0.03732400  0.74875700  0.34035400  1
  P  P9  1  0.25124300  0.96267600  0.15964600  1
  P  P10  1  0.31627900  0.78145300  0.01448700  1
  P  P11  1  0.21854700  0.68372100  0.48551300  1
  P  P12  1  0.36776000  0.63224000  0.75000000  1
  P  P13  1  0.67075000  0.73077400  0.30934700  1
  P  P14  1  0.26922600  0.32925000  0.19065300  1
  P  P15  1  0.34833700  0.34833700  0.50000000  1
  P  P16  1  0.65166300  0.65166300  0.00000000  1
  P  P17  1  0.32925000  0.26922600  0.80934700  1
  P  P18  1  0.73077400  0.67075000  0.69065300  1
  P  P19  1  0.63224000  0.36776000  0.25000000  1
  P  P20  1  0.78145300  0.31627900  0.98551300  1
  P  P21  1  0.68372100  0.21854700  0.51448700  1
  P  P22  1  0.74875700  0.03732400  0.65964600  1
  P  P23  1  0.96267600  0.25124300  0.84035400  1
  O  O24  1  0.12895400  0.93746100  0.35207500  1
  O  O25  1  0.06253900  0.87104600  0.14792500  1
  O  O26  1  0.34941500  0.95201900  0.23374800  1
  O  O27  1  0.04798100  0.65058500  0.26625200  1
  O  O28  1  0.31667900  0.86727700  0.47821100  1
  O  O29  1  0.13272300  0.68332100  0.02178900  1
  O  O30  1  0.36972900  0.89904100  0.09143600  1
  O  O31  1  0.10095900  0.63027100  0.40856400  1
  O  O32  1  0.10510200  0.63683700  0.55604000  1
  O  O33  1  0.36316300  0.89489800  0.94396000  1
  O  O34  1  0.40230400  0.79926600  0.79532900  1
  O  O35  1  0.20073400  0.59769600  0.70467100  1
  O  O36  1  0.52919500  0.79222800  0.35483000  1
  O  O37  1  0.20777200  0.47080500  0.14517000  1
  O  O38  1  0.35478200  0.54953900  0.47969000  1
  O  O39  1  0.45046100  0.64521800  0.02031000  1
  O  O40  1  0.75388200  0.83998200  0.63360400  1
  O  O41  1  0.16001800  0.24611800  0.86639600  1
  O  O42  1  0.52091800  0.61772300  0.68923500  1
  O  O43  1  0.38227700  0.47908200  0.81076500  1
  O  O44  1  0.23934600  0.29674100  0.57220500  1
  O  O45  1  0.70325900  0.76065400  0.92779500  1
  O  O46  1  0.19593500  0.28112500  0.26906300  1
  O  O47  1  0.71887500  0.80406500  0.23093700  1
  O  O48  1  0.28112500  0.19593500  0.73093700  1
  O  O49  1  0.80406500  0.71887500  0.76906300  1
  O  O50  1  0.29674100  0.23934600  0.42779500  1
  O  O51  1  0.76065400  0.70325900  0.07220500  1
  O  O52  1  0.61772300  0.52091800  0.31076500  1
  O  O53  1  0.47908200  0.38227700  0.18923500  1
  O  O54  1  0.24611800  0.16001800  0.13360400  1
  O  O55  1  0.83998200  0.75388200  0.36639600  1
  O  O56  1  0.64521800  0.45046100  0.97969000  1
  O  O57  1  0.54953900  0.35478200  0.52031000  1
  O  O58  1  0.79222800  0.52919500  0.64517000  1
  O  O59  1  0.47080500  0.20777200  0.85483000  1
  O  O60  1  0.79926600  0.40230400  0.20467100  1
  O  O61  1  0.59769600  0.20073400  0.29532900  1
  O  O62  1  0.63683700  0.10510200  0.44396000  1
  O  O63  1  0.89489800  0.36316300  0.05604000  1
  O  O64  1  0.63027100  0.10095900  0.59143600  1
  O  O65  1  0.89904100  0.36972900  0.90856400  1
  O  O66  1  0.86727700  0.31667900  0.52178900  1
  O  O67  1  0.68332100  0.13272300  0.97821100  1
  O  O68  1  0.65058500  0.04798100  0.73374800  1
  O  O69  1  0.95201900  0.34941500  0.76625200  1
  O  O70  1  0.93746100  0.12895300  0.64792500  1
  O  O71  1  0.87104700  0.06253900  0.85207500  1
