# generated using pymatgen
data_Fe2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11390201
_cell_length_b   5.11390201
_cell_length_c   17.84476600
_cell_angle_alpha   83.42212692
_cell_angle_beta   83.42212692
_cell_angle_gamma   34.15270633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2S
_chemical_formula_sum   'Fe14 S7'
_cell_volume   260.10423878
_cell_formula_units_Z   7
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  0.46489000  0.46489000  0.14853700  1.0
  Fe  Fe1  1  0.29315700  0.29315700  0.05491900  1.0
  Fe  Fe2  1  0.04207100  0.04207100  0.38110200  1.0
  Fe  Fe3  1  0.89480100  0.89480100  0.25680900  1.0
  Fe  Fe4  1  0.32073300  0.32073300  0.41178100  1.0
  Fe  Fe5  1  0.60908000  0.60908000  0.24934500  1.0
  Fe  Fe6  1  0.73519800  0.73519800  0.55332200  1.0
  Fe  Fe7  1  0.46961700  0.46961700  0.52194600  1.0
  Fe  Fe8  1  0.16856000  0.16856000  0.69458000  1.0
  Fe  Fe9  1  0.88013000  0.88013000  0.67079500  1.0
  Fe  Fe10  1  0.58780300  0.58780300  0.83890000  1.0
  Fe  Fe11  1  0.30458000  0.30458000  0.81198400  1.0
  Fe  Fe12  1  0.00476900  0.00476900  0.98747700  1.0
  Fe  Fe13  1  0.73549400  0.73549400  0.94096300  1.0
  S  S14  1  0.62676900  0.62676900  0.05635300  1.0
  S  S15  1  0.24402100  0.24402100  0.18487400  1.0
  S  S16  1  0.71999000  0.71999000  0.34825300  1.0
  S  S17  1  0.13255200  0.13255200  0.49074900  1.0
  S  S18  1  0.54592000  0.54592000  0.63401100  1.0
  S  S19  1  0.97663600  0.97663600  0.77884300  1.0
  S  S20  1  0.39799100  0.39799100  0.92493300  1.0