# generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73225847
_cell_length_b   6.73225847
_cell_length_c   5.36706500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeS
_chemical_formula_sum   'Fe8 S8'
_cell_volume   210.66337110
_cell_formula_units_Z   8
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  0.52944700  0.47055300  0.50075200  1.0
  Fe  Fe1  1  0.94110500  0.47055300  0.50075200  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.96202900  1.0
  Fe  Fe3  1  0.47055300  0.52944700  0.00075200  1.0
  Fe  Fe4  1  0.52944700  0.05889500  0.50075200  1.0
  Fe  Fe5  1  0.00000000  0.00000000  0.46202900  1.0
  Fe  Fe6  1  0.05889500  0.52944700  0.00075200  1.0
  Fe  Fe7  1  0.47055300  0.94110500  0.00075200  1.0
  S  S8  1  0.16553600  0.83446400  0.73902200  1.0
  S  S9  1  0.83446400  0.66892800  0.23902200  1.0
  S  S10  1  0.66892800  0.83446400  0.73902200  1.0
  S  S11  1  0.66666700  0.33333300  0.79773100  1.0
  S  S12  1  0.33107200  0.16553600  0.23902200  1.0
  S  S13  1  0.83446400  0.16553600  0.23902200  1.0
  S  S14  1  0.33333300  0.66666700  0.29773100  1.0
  S  S15  1  0.16553600  0.33107200  0.73902200  1.0