# generated using pymatgen
data_LiNbPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11307100
_cell_length_b   7.43215559
_cell_length_c   8.18300599
_cell_angle_alpha   89.43045250
_cell_angle_beta   92.54247407
_cell_angle_gamma   115.73781462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbPO5
_chemical_formula_sum   'Li4 Nb4 P4 O20'
_cell_volume   389.27599619
_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  0.29695100  0.82746300  0.42529500  1
  Li  Li1  1  0.21810600  0.30898400  0.07612700  1
  Li  Li2  1  0.78189400  0.69101600  0.92387300  1
  Li  Li3  1  0.70304900  0.17253700  0.57470500  1
  Nb  Nb4  1  0.24399500  0.50996000  0.73728100  1
  Nb  Nb5  1  0.24611800  0.01374000  0.76596100  1
  Nb  Nb6  1  0.75388200  0.98626000  0.23403900  1
  Nb  Nb7  1  0.75600500  0.49004000  0.26271900  1
  P  P8  1  0.23107400  0.74592600  0.09328900  1
  P  P9  1  0.26270200  0.23859100  0.40854700  1
  P  P10  1  0.73729800  0.76140900  0.59145300  1
  P  P11  1  0.76892600  0.25407400  0.90671100  1
  O  O12  1  0.12411400  0.84313600  0.97545900  1
  O  O13  1  0.08669100  0.64356000  0.23722700  1
  O  O14  1  0.24045100  0.75299200  0.66662400  1
  O  O15  1  0.27400700  0.59105800  0.99508500  1
  O  O16  1  0.19458100  0.36879000  0.51537200  1
  O  O17  1  0.43131500  0.90568300  0.17792300  1
  O  O18  1  0.07540900  0.09362200  0.30302100  1
  O  O19  1  0.26648700  0.26238200  0.84223500  1
  O  O20  1  0.64504900  0.87816800  0.47947700  1
  O  O21  1  0.42467900  0.36983100  0.28424900  1
  O  O22  1  0.57532100  0.63016900  0.71575100  1
  O  O23  1  0.35495100  0.12183200  0.52052300  1
  O  O24  1  0.73351300  0.73761800  0.15776500  1
  O  O25  1  0.92459100  0.90637800  0.69697900  1
  O  O26  1  0.56868500  0.09431700  0.82207700  1
  O  O27  1  0.80541900  0.63121000  0.48462800  1
  O  O28  1  0.72599300  0.40894200  0.00491500  1
  O  O29  1  0.75954900  0.24700800  0.33337600  1
  O  O30  1  0.91330900  0.35644000  0.76277300  1
  O  O31  1  0.87588600  0.15686400  0.02454100  1
