# generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59244900
_cell_length_b   3.59245200
_cell_length_c   5.26832300
_cell_angle_alpha   90.00020445
_cell_angle_beta   89.99971508
_cell_angle_gamma   89.99974482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeS
_chemical_formula_sum   'Fe2 S2'
_cell_volume   67.99139927
_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  0.25000000  0.75000000  0.00000000  1.0
  Fe  Fe1  1  0.75000000  0.25000000  0.00000000  1.0
  S  S2  1  0.24999900  0.24999900  0.23210500  1.0
  S  S3  1  0.75000100  0.75000100  0.76789600  1.0