# generated using pymatgen
data_Ni(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82425375
_cell_length_b   10.08576278
_cell_length_c   6.97334354
_cell_angle_alpha   90.00000000
_cell_angle_beta   105.61740761
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni(PS3)2
_chemical_formula_sum   'Ni2 P4 S12'
_cell_volume   394.50529060
_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  0.50000000  0.16672900  -0.00000000  1
  Ni  Ni1  1  0.00000000  0.66666700  0.00000000  1
  P  P2  1  0.94708600  0.00000300  0.83751300  1
  P  P3  1  0.05291400  0.00000300  0.16248700  1
  P  P4  1  0.44708600  0.50000300  0.83751300  1
  P  P5  1  0.55291400  0.50000300  0.16248700  1
  S  S6  1  0.72804800  0.16130500  0.76747400  1
  S  S7  1  0.73463700  0.01781100  0.23231200  1
  S  S8  1  0.27195200  0.16130500  0.23252600  1
  S  S9  1  0.78148000  0.82091900  0.76657800  1
  S  S10  1  0.21852000  0.82091900  0.23342200  1
  S  S11  1  0.26536300  0.01781100  0.76768800  1
  S  S12  1  0.22804800  0.66130500  0.76747400  1
  S  S13  1  0.23463700  0.51781100  0.23231200  1
  S  S14  1  0.77195200  0.66130500  0.23252600  1
  S  S15  1  0.28148000  0.32091900  0.76657800  1
  S  S16  1  0.71852000  0.32091900  0.23342200  1
  S  S17  1  0.76536300  0.51781100  0.76768800  1
