# generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17655213
_cell_length_b   3.32201229
_cell_length_c   5.56905829
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeS
_chemical_formula_sum   'Fe4 S4'
_cell_volume   95.76869958
_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  0.75000000  0.98428500  0.20320900  1
  Fe  Fe1  1  0.25000000  0.01571500  0.79679100  1
  Fe  Fe2  1  0.75000000  0.48428500  0.29679100  1
  Fe  Fe3  1  0.25000000  0.51571500  0.70320900  1
  S  S4  1  0.75000000  0.78469400  0.58224900  1
  S  S5  1  0.25000000  0.21530600  0.41775100  1
  S  S6  1  0.75000000  0.28469400  0.91775100  1
  S  S7  1  0.25000000  0.71530600  0.08224900  1
