# generated using pymatgen
data_FeNiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05006618
_cell_length_b   8.05006618
_cell_length_c   8.05006618
_cell_angle_alpha   120.24758573
_cell_angle_beta   120.06363536
_cell_angle_gamma   89.73075945
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiS2
_chemical_formula_sum   'Fe4 Ni4 S8'
_cell_volume   368.00529303
_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
  Fe  Fe0  1  0.25694600  0.75022900  0.50671700  1.0
  Fe  Fe1  1  0.75648800  0.24977100  0.50671700  1.0
  Fe  Fe2  1  0.15662300  0.15504300  0.31166600  1.0
  Fe  Fe3  1  0.15662300  0.84495700  0.00158000  1.0
  Ni  Ni4  1  0.83021100  0.82801500  0.00219600  1.0
  Ni  Ni5  1  0.83216900  0.82905800  0.66122700  1.0
  Ni  Ni6  1  0.83216900  0.17094200  0.00311200  1.0
  Ni  Ni7  1  0.17418100  0.17198500  0.00219600  1.0
  S  S8  1  0.13539200  0.85713100  0.27826000  1.0
  S  S9  1  0.59218700  0.86389400  0.72829300  1.0
  S  S10  1  0.13735300  0.86444400  0.72283100  1.0
  S  S11  1  0.13735300  0.41452200  0.27291000  1.0
  S  S12  1  0.86440000  0.13610600  0.72829300  1.0
  S  S13  1  0.42112900  0.14286900  0.27826000  1.0
  S  S14  1  0.85838800  0.13555600  0.27291000  1.0
  S  S15  1  0.85838800  0.58547800  0.72283100  1.0