# generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58146034
_cell_length_b   6.58146034
_cell_length_c   5.17302894
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeS
_chemical_formula_sum   'Fe8 S8'
_cell_volume   194.05287296
_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  0.52437100  0.47562900  0.01485100  1
  Fe  Fe1  1  0.95125800  0.47562900  0.01485100  1
  Fe  Fe2  1  0.00000000  0.00000000  0.45350400  1
  Fe  Fe3  1  0.47562900  0.52437100  0.51485100  1
  Fe  Fe4  1  0.52437100  0.04874200  0.01485100  1
  Fe  Fe5  1  0.00000000  0.00000000  0.95350400  1
  Fe  Fe6  1  0.04874200  0.52437100  0.51485100  1
  Fe  Fe7  1  0.47562900  0.95125800  0.51485100  1
  S  S8  1  0.16667600  0.33333300  0.22729600  1
  S  S9  1  0.16667600  0.83332400  0.22729600  1
  S  S10  1  0.83332400  0.66666700  0.72729600  1
  S  S11  1  0.66666700  0.83332400  0.22729600  1
  S  S12  1  0.66666700  0.33333300  0.29505500  1
  S  S13  1  0.33333300  0.16667600  0.72729600  1
  S  S14  1  0.83332400  0.16667600  0.72729600  1
  S  S15  1  0.33333300  0.66666700  0.79505500  1
