# generated using pymatgen
data_NiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80506000
_cell_length_b   5.75266900
_cell_length_c   9.93716200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPO4
_chemical_formula_sum   'Ni4 P4 O16'
_cell_volume   274.68223410
_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
  Ni  Ni0  1  0.45079200  0.75000000  0.22844800  1.0
  Ni  Ni1  1  0.95079200  0.25000000  0.27155200  1.0
  Ni  Ni2  1  0.04920800  0.75000000  0.72844800  1.0
  Ni  Ni3  1  0.54920800  0.25000000  0.77155200  1.0
  P  P4  1  0.39476600  0.25000000  0.09273900  1.0
  P  P5  1  0.89476600  0.75000000  0.40726100  1.0
  P  P6  1  0.10523400  0.25000000  0.59273900  1.0
  P  P7  1  0.60523400  0.75000000  0.90726100  1.0
  O  O8  1  0.67335500  0.75000000  0.05829700  1.0
  O  O9  1  0.71092100  0.25000000  0.10987800  1.0
  O  O10  1  0.24715300  0.04112200  0.16552400  1.0
  O  O11  1  0.24715300  0.45887800  0.16552400  1.0
  O  O12  1  0.74715300  0.54112200  0.33447600  1.0
  O  O13  1  0.74715300  0.95887800  0.33447600  1.0
  O  O14  1  0.21092100  0.75000000  0.39012200  1.0
  O  O15  1  0.17335500  0.25000000  0.44170300  1.0
  O  O16  1  0.82664500  0.75000000  0.55829700  1.0
  O  O17  1  0.78907900  0.25000000  0.60987800  1.0
  O  O18  1  0.25284700  0.04112200  0.66552400  1.0
  O  O19  1  0.25284700  0.45887800  0.66552400  1.0
  O  O20  1  0.75284700  0.54112200  0.83447600  1.0
  O  O21  1  0.75284700  0.95887800  0.83447600  1.0
  O  O22  1  0.28907900  0.75000000  0.89012200  1.0
  O  O23  1  0.32664500  0.25000000  0.94170300  1.0