# generated using pymatgen
data_NiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74510905
_cell_length_b   6.74510862
_cell_length_c   6.74507456
_cell_angle_alpha   109.47112154
_cell_angle_beta   109.47113483
_cell_angle_gamma   109.47133878
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiP3
_chemical_formula_sum   'Ni4 P12'
_cell_volume   236.23440348
_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  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.50000000  1.0
  P  P4  1  0.50157318  0.85780077  0.64377322  1.0
  P  P5  1  0.21402406  0.85780064  0.35622756  1.0
  P  P6  1  0.78597594  0.14219936  0.64377244  1.0
  P  P7  1  0.14219936  0.35622342  0.49842692  1.0
  P  P8  1  0.49842682  0.14219923  0.35622678  1.0
  P  P9  1  0.14219923  0.64377241  0.78597345  1.0
  P  P10  1  0.35622342  0.21402406  0.85779650  1.0
  P  P11  1  0.85780064  0.64377658  0.50157308  1.0
  P  P12  1  0.64377658  0.78597594  0.14220350  1.0
  P  P13  1  0.85780077  0.35622759  0.21402655  1.0
  P  P14  1  0.64377341  0.50157318  0.85779996  1.0
  P  P15  1  0.35622659  0.49842682  0.14220004  1.0