# generated using pymatgen
data_FeNi(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90435219
_cell_length_b   10.15621824
_cell_length_c   6.86912137
_cell_angle_alpha   90.00000000
_cell_angle_beta   105.61099362
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi(PS3)2
_chemical_formula_sum   'Fe2 Ni2 P4 S12'
_cell_volume   396.71789421
_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
  Fe  Fe0  1  0.50000000  0.15625000  0.00000000  1
  Fe  Fe1  1  0.00000000  0.65625000  0.00000000  1
  Ni  Ni2  1  0.50000000  0.83690200  0.00000000  1
  Ni  Ni3  1  0.00000000  0.33690200  0.00000000  1
  P  P4  1  0.05709100  0.00059800  0.16549200  1
  P  P5  1  0.94290900  0.00059800  0.83450800  1
  P  P6  1  0.55709100  0.50059800  0.16549200  1
  P  P7  1  0.44290900  0.50059800  0.83450800  1
  S  S8  1  0.74204900  0.99693500  0.24022300  1
  S  S9  1  0.25795100  0.99693500  0.75977700  1
  S  S10  1  0.25332800  0.83277100  0.23430900  1
  S  S11  1  0.24294400  0.17312000  0.23191400  1
  S  S12  1  0.75705600  0.17312000  0.76808600  1
  S  S13  1  0.74667200  0.83277100  0.76569100  1
  S  S14  1  0.24204900  0.49693500  0.24022300  1
  S  S15  1  0.75795100  0.49693500  0.75977700  1
  S  S16  1  0.75332800  0.33277100  0.23430900  1
  S  S17  1  0.74294400  0.67312000  0.23191400  1
  S  S18  1  0.25705600  0.67312000  0.76808600  1
  S  S19  1  0.24667200  0.33277100  0.76569100  1
