# generated using pymatgen
data_LiNb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40469329
_cell_length_b   7.40469329
_cell_length_c   10.22509347
_cell_angle_alpha   66.33694650
_cell_angle_beta   66.33694650
_cell_angle_gamma   69.78342031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb(PO3)4
_chemical_formula_sum   'Li2 Nb2 P8 O24'
_cell_volume   458.81187925
_cell_formula_units_Z   2
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  0.00000000  0.50000000  0.50000000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Nb  Nb2  1  0.94341300  0.05658700  0.75000000  1
  Nb  Nb3  1  0.05658700  0.94341300  0.25000000  1
  P  P4  1  0.25852300  0.72356600  0.97726600  1
  P  P5  1  0.74147700  0.27643400  0.02273400  1
  P  P6  1  0.31054700  0.29521800  0.69868000  1
  P  P7  1  0.29521800  0.31054700  0.19868000  1
  P  P8  1  0.70478200  0.68945300  0.80132000  1
  P  P9  1  0.72356600  0.25852300  0.47726600  1
  P  P10  1  0.27643400  0.74147700  0.52273400  1
  P  P11  1  0.68945300  0.70478200  0.30132000  1
  O  O12  1  0.77416900  0.50112600  0.93732500  1
  O  O13  1  0.87390400  0.71895000  0.32429000  1
  O  O14  1  0.50112600  0.77416900  0.43732500  1
  O  O15  1  0.80886600  0.28183900  0.58159200  1
  O  O16  1  0.16197100  0.90564300  0.59433800  1
  O  O17  1  0.71816100  0.19113400  0.91840800  1
  O  O18  1  0.19113400  0.71816100  0.41840800  1
  O  O19  1  0.09435700  0.83802900  0.90566200  1
  O  O20  1  0.46654100  0.69377900  0.84753500  1
  O  O21  1  0.28105000  0.12609600  0.17571000  1
  O  O22  1  0.71895000  0.87390400  0.82429000  1
  O  O23  1  0.22583100  0.49887400  0.06267500  1
  O  O24  1  0.19267400  0.34959600  0.34429000  1
  O  O25  1  0.83802900  0.09435700  0.40566200  1
  O  O26  1  0.69377900  0.46654100  0.34753500  1
  O  O27  1  0.30622100  0.53345900  0.65246500  1
  O  O28  1  0.34959600  0.19267400  0.84429000  1
  O  O29  1  0.65040400  0.80732600  0.15571000  1
  O  O30  1  0.49887400  0.22583100  0.56267500  1
  O  O31  1  0.80732600  0.65040400  0.65571000  1
  O  O32  1  0.28183900  0.80886600  0.08159200  1
  O  O33  1  0.12609600  0.28105000  0.67571000  1
  O  O34  1  0.53345900  0.30622100  0.15246500  1
  O  O35  1  0.90564300  0.16197100  0.09433800  1
