# generated using pymatgen
data_Fe(NiS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62958059
_cell_length_b   6.62958059
_cell_length_c   6.62958059
_cell_angle_alpha   120.33608866
_cell_angle_beta   119.75681759
_cell_angle_gamma   89.92029273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(NiS2)2
_chemical_formula_sum   'Fe2 Ni4 S8'
_cell_volume   205.88455664
_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  0.50000000  1.0
  Fe  Fe1  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni2  1  0.12362700  0.37362700  0.75000000  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni5  1  0.87637300  0.62637300  0.25000000  1.0
  S  S6  1  0.26078400  0.77412800  0.01334400  1.0
  S  S7  1  0.26078400  0.24744000  0.48665600  1.0
  S  S8  1  0.26568800  0.24457700  0.02111100  1.0
  S  S9  1  0.72346600  0.24457700  0.47888900  1.0
  S  S10  1  0.27653400  0.75542300  0.52111100  1.0
  S  S11  1  0.73431200  0.75542300  0.97888900  1.0
  S  S12  1  0.73921600  0.75256000  0.51334400  1.0
  S  S13  1  0.73921600  0.22587200  0.98665600  1.0