# generated using pymatgen
data_LiTi3Nb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87309712
_cell_length_b   8.87309712
_cell_length_c   8.87309728
_cell_angle_alpha   58.48188577
_cell_angle_beta   58.48188577
_cell_angle_gamma   58.48188743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi3Nb(PO4)6
_chemical_formula_sum   'Li1 Ti3 Nb1 P6 O24'
_cell_volume   476.82472476
_cell_formula_units_Z   1
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  0.00536700  0.00536700  0.00536700  1
  Ti  Ti1  1  0.14522300  0.14522300  0.14522300  1
  Ti  Ti2  1  0.36030400  0.36030400  0.36030400  1
  Ti  Ti3  1  0.64033000  0.64033000  0.64033000  1
  Nb  Nb4  1  0.85619000  0.85619000  0.85619000  1
  P  P5  1  0.75061700  0.03457500  0.45668400  1
  P  P6  1  0.03457500  0.45668400  0.75061700  1
  P  P7  1  0.45668400  0.75061700  0.03457500  1
  P  P8  1  0.53240500  0.25494500  0.96740800  1
  P  P9  1  0.96740800  0.53240500  0.25494500  1
  P  P10  1  0.25494500  0.96740800  0.53240500  1
  O  O11  1  0.28111200  0.13866800  0.50327300  1
  O  O12  1  0.50327300  0.28111200  0.13866800  1
  O  O13  1  0.92351400  0.06064300  0.27609800  1
  O  O14  1  0.13866800  0.50327300  0.28111200  1
  O  O15  1  0.57805200  0.21402800  0.43595200  1
  O  O16  1  0.78625000  0.00335400  0.62815300  1
  O  O17  1  0.06064300  0.27609800  0.92351400  1
  O  O18  1  0.21402800  0.43595200  0.57805200  1
  O  O19  1  0.43595200  0.57805200  0.21402800  1
  O  O20  1  0.36696300  0.21451800  0.99794700  1
  O  O21  1  0.71779700  0.08078600  0.93976900  1
  O  O22  1  0.99794700  0.36696300  0.21451800  1
  O  O23  1  0.00335400  0.62815300  0.78625000  1
  O  O24  1  0.27609800  0.92351400  0.06064300  1
  O  O25  1  0.62815300  0.78625000  0.00335400  1
  O  O26  1  0.56081400  0.42382800  0.78706400  1
  O  O27  1  0.78706400  0.56081400  0.42382800  1
  O  O28  1  0.93976900  0.71779700  0.08078600  1
  O  O29  1  0.21451800  0.99794700  0.36696300  1
  O  O30  1  0.42382800  0.78706400  0.56081400  1
  O  O31  1  0.86208200  0.49513300  0.72015400  1
  O  O32  1  0.08078600  0.93976900  0.71779700  1
  O  O33  1  0.49513300  0.72015400  0.86208200  1
  O  O34  1  0.72015400  0.86208200  0.49513300  1
