# generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89723989
_cell_length_b   11.42051442
_cell_length_c   5.89463920
_cell_angle_alpha   89.96991658
_cell_angle_beta   119.98921495
_cell_angle_gamma   90.01100511
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeS
_chemical_formula_sum   'Fe12 S12'
_cell_volume   343.85033087
_cell_formula_units_Z   12
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  0.67878500  0.62098600  0.60534300  1.0
  Fe  Fe1  1  0.60554700  0.37899600  0.67857900  1.0
  Fe  Fe2  1  0.39440200  0.62123900  0.07309000  1.0
  Fe  Fe3  1  0.92688400  0.62121200  0.32143400  1.0
  Fe  Fe4  1  0.60539100  0.12103800  0.67904300  1.0
  Fe  Fe5  1  0.32202000  0.12076300  0.92678100  1.0
  Fe  Fe6  1  0.92661700  0.87882800  0.32142400  1.0
  Fe  Fe7  1  0.39473200  0.87893400  0.07347700  1.0
  Fe  Fe8  1  0.32091700  0.37932700  0.92625700  1.0
  Fe  Fe9  1  0.07301300  0.12099300  0.39429400  1.0
  Fe  Fe10  1  0.67850300  0.87897600  0.60546800  1.0
  Fe  Fe11  1  0.07346900  0.37893100  0.39529200  1.0
  S  S12  1  0.00221900  0.24971600  0.66206400  1.0
  S  S13  1  0.33312500  0.97458900  0.66671800  1.0
  S  S14  1  0.66661900  0.47411500  0.33307100  1.0
  S  S15  1  0.33778400  0.24996600  0.34049700  1.0
  S  S16  1  0.65998300  0.25014300  0.99723500  1.0
  S  S17  1  0.34070800  0.75006700  0.33726200  1.0
  S  S18  1  0.99977300  0.99984600  0.00000100  1.0
  S  S19  1  0.33358500  0.52537300  0.66676500  1.0
  S  S20  1  0.66647200  0.02590600  0.33332900  1.0
  S  S21  1  0.99666200  0.74999800  0.65934500  1.0
  S  S22  1  0.00001700  0.50003500  0.99972000  1.0
  S  S23  1  0.66277200  0.75002200  0.00351100  1.0