# generated using pymatgen
data_FeNi(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87388578
_cell_length_b   5.87388578
_cell_length_c   6.86912128
_cell_angle_alpha   82.22691341
_cell_angle_beta   82.22691341
_cell_angle_gamma   119.65655148
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi(PS3)2
_chemical_formula_sum   'Fe1 Ni1 P2 S6'
_cell_volume   198.35893576
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.65625000  0.34375000  0.00000000  1.0
  Ni  Ni1  1  0.33690200  0.66309800  0.00000000  1.0
  P  P2  1  0.05768900  0.05649400  0.83450800  1.0
  P  P3  1  0.94350600  0.94231100  0.16549200  1.0
  S  S4  1  0.73898400  0.74511300  0.75977700  1.0
  S  S5  1  0.25488700  0.26101600  0.24022300  1.0
  S  S6  1  0.08609900  0.42055700  0.76569100  1.0
  S  S7  1  0.41606400  0.06982400  0.76808600  1.0
  S  S8  1  0.93017600  0.58393600  0.23191400  1.0
  S  S9  1  0.57944300  0.91390100  0.23430900  1.0