# generated using pymatgen
data_NiPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54660185
_cell_length_b   5.54660185
_cell_length_c   5.54660185
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPS
_chemical_formula_sum   'Ni4 P4 S4'
_cell_volume   170.64005268
_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  0.99484700  0.50515300  0.49484700  1
  Ni  Ni1  1  0.00515300  0.00515300  0.00515300  1
  Ni  Ni2  1  0.50515300  0.49484700  0.99484700  1
  Ni  Ni3  1  0.49484700  0.99484700  0.50515300  1
  P  P4  1  0.88740200  0.38740200  0.11259800  1
  P  P5  1  0.38740200  0.11259800  0.88740200  1
  P  P6  1  0.11259800  0.88740200  0.38740200  1
  P  P7  1  0.61259800  0.61259800  0.61259800  1
  S  S8  1  0.38808100  0.38808100  0.38808100  1
  S  S9  1  0.88808100  0.11191900  0.61191900  1
  S  S10  1  0.61191900  0.88808100  0.11191900  1
  S  S11  1  0.11191900  0.61191900  0.88808100  1
