# generated using pymatgen
data_LiNb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93057626
_cell_length_b   8.93057626
_cell_length_c   8.94566111
_cell_angle_alpha   60.06571375
_cell_angle_beta   60.06571375
_cell_angle_gamma   59.69779556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2(PO4)3
_chemical_formula_sum   'Li2 Nb4 P6 O24'
_cell_volume   503.82927387
_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  0.93364200  0.46761800  0.99568800  1
  Li  Li1  1  0.46761800  0.93364200  0.49568800  1
  Nb  Nb2  1  0.14247400  0.64289200  0.57158600  1
  Nb  Nb3  1  0.85897200  0.35610400  0.42886500  1
  Nb  Nb4  1  0.64289200  0.14247400  0.07158600  1
  Nb  Nb5  1  0.35610400  0.85897200  0.92886500  1
  P  P6  1  0.04016000  0.24896600  0.75190100  1
  P  P7  1  0.74962000  0.95828500  0.75135800  1
  P  P8  1  0.24896600  0.04016000  0.25190100  1
  P  P9  1  0.95828500  0.74962000  0.25135800  1
  P  P10  1  0.54128400  0.45922300  0.24752800  1
  P  P11  1  0.45922300  0.54128400  0.74752800  1
  O  O12  1  0.70595600  0.99688500  0.92242800  1
  O  O13  1  0.05592300  0.41181400  0.75683600  1
  O  O14  1  0.72764000  0.43767500  0.24254700  1
  O  O15  1  0.79520600  0.12023000  0.57918100  1
  O  O16  1  0.99688500  0.70595600  0.42242800  1
  O  O17  1  0.08438000  0.22166200  0.25309400  1
  O  O18  1  0.56124800  0.28175900  0.23909900  1
  O  O19  1  0.91098100  0.77358300  0.75171400  1
  O  O20  1  0.28175900  0.56124800  0.73909900  1
  O  O21  1  0.12023000  0.79520600  0.07918100  1
  O  O22  1  0.58417200  0.93789400  0.75959600  1
  O  O23  1  0.62313900  0.50572800  0.57451700  1
  O  O24  1  0.49344800  0.38207300  0.92082400  1
  O  O25  1  0.20454900  0.87820500  0.42487700  1
  O  O26  1  0.38207300  0.49344800  0.42082400  1
  O  O27  1  0.77358300  0.91098100  0.25171400  1
  O  O28  1  0.43767500  0.72764000  0.74254700  1
  O  O29  1  0.00615300  0.29645500  0.57836300  1
  O  O30  1  0.50572800  0.62313900  0.07451700  1
  O  O31  1  0.22166200  0.08438000  0.75309400  1
  O  O32  1  0.41181400  0.05592300  0.25683600  1
  O  O33  1  0.93789400  0.58417200  0.25959600  1
  O  O34  1  0.87820500  0.20454900  0.92487700  1
  O  O35  1  0.29645500  0.00615300  0.07836300  1
