# generated using pymatgen
data_FeNiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47688503
_cell_length_b   5.53734190
_cell_length_c   5.52387252
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.37471419
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiS4
_chemical_formula_sum   'Fe2 Ni2 S8'
_cell_volume   167.52102574
_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  0.50000000  0.00000000  1
  Fe  Fe1  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni2  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1
  S  S4  1  0.88116100  0.89289700  0.39542600  1
  S  S5  1  0.11883900  0.39289700  0.10457400  1
  S  S6  1  0.60609300  0.11877100  0.88094700  1
  S  S7  1  0.39390700  0.61877100  0.61905300  1
  S  S8  1  0.11883900  0.10710300  0.60457400  1
  S  S9  1  0.88116100  0.60710300  0.89542600  1
  S  S10  1  0.39390700  0.88122900  0.11905300  1
  S  S11  1  0.60609300  0.38122900  0.38094700  1
