# generated using pymatgen
data_LiNb(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.51927578
_cell_length_b   10.51927578
_cell_length_c   5.41934531
_cell_angle_alpha   80.99043713
_cell_angle_beta   80.99043713
_cell_angle_gamma   70.17424030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb(PO3)4
_chemical_formula_sum   'Li2 Nb2 P8 O24'
_cell_volume   553.70755857
_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  0.43760000  0.43760000  0.60835600  1
  Li  Li1  1  0.56240000  0.56240000  0.39164400  1
  Nb  Nb2  1  0.50000000  0.00000000  0.00000000  1
  Nb  Nb3  1  0.00000000  0.50000000  0.00000000  1
  P  P4  1  0.36789200  0.77989700  0.82188200  1
  P  P5  1  0.77989700  0.36789200  0.82188200  1
  P  P6  1  0.93920200  0.70045300  0.46302900  1
  P  P7  1  0.70045300  0.93920200  0.46302900  1
  P  P8  1  0.06079800  0.29954700  0.53697100  1
  P  P9  1  0.29954700  0.06079800  0.53697100  1
  P  P10  1  0.22010300  0.63210800  0.17811800  1
  P  P11  1  0.63210800  0.22010300  0.17811800  1
  O  O12  1  0.23309300  0.76690700  0.00000000  1
  O  O13  1  0.76690700  0.23309300  0.00000000  1
  O  O14  1  0.67755500  0.92371700  0.74659100  1
  O  O15  1  0.92371700  0.67755500  0.74659100  1
  O  O16  1  0.17991300  0.54950300  0.01538800  1
  O  O17  1  0.54950300  0.17991300  0.01538800  1
  O  O18  1  0.43434900  0.65960300  0.68147500  1
  O  O19  1  0.65960300  0.43434900  0.68147500  1
  O  O20  1  0.90995100  0.29672500  0.63118400  1
  O  O21  1  0.29672500  0.90995100  0.63118400  1
  O  O22  1  0.85721800  0.85721800  0.38043900  1
  O  O23  1  0.10253600  0.39038800  0.67281800  1
  O  O24  1  0.39038800  0.10253600  0.67281800  1
  O  O25  1  0.60961200  0.89746400  0.32718200  1
  O  O26  1  0.89746400  0.60961200  0.32718200  1
  O  O27  1  0.14278200  0.14278200  0.61956100  1
  O  O28  1  0.09004900  0.70327500  0.36881600  1
  O  O29  1  0.70327500  0.09004900  0.36881600  1
  O  O30  1  0.34039700  0.56565100  0.31852500  1
  O  O31  1  0.56565100  0.34039700  0.31852500  1
  O  O32  1  0.45049700  0.82008700  0.98461200  1
  O  O33  1  0.82008700  0.45049700  0.98461200  1
  O  O34  1  0.07628300  0.32244500  0.25340900  1
  O  O35  1  0.32244500  0.07628300  0.25340900  1
