# generated using pymatgen
data_NiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63875584
_cell_length_b   4.63875584
_cell_length_c   6.17650000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.87424903
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPO4
_chemical_formula_sum   'Ni2 P2 O8'
_cell_volume   123.33752445
_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
  Ni  Ni0  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1.0
  P  P2  1  0.65376900  0.34623100  0.75000000  1.0
  P  P3  1  0.34623100  0.65376900  0.25000000  1.0
  O  O4  1  0.75840800  0.24159200  0.96038100  1.0
  O  O5  1  0.71433900  0.77601400  0.25000000  1.0
  O  O6  1  0.28566100  0.22398600  0.75000000  1.0
  O  O7  1  0.22398600  0.28566100  0.25000000  1.0
  O  O8  1  0.24159200  0.75840800  0.03961900  1.0
  O  O9  1  0.75840800  0.24159200  0.53961900  1.0
  O  O10  1  0.24159200  0.75840800  0.46038100  1.0
  O  O11  1  0.77601400  0.71433900  0.75000000  1.0