# generated using pymatgen
data_Fe2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63311968
_cell_length_b   4.63311968
_cell_length_c   19.52253172
_cell_angle_alpha   89.76728675
_cell_angle_beta   89.76728675
_cell_angle_gamma   38.55221085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2S
_chemical_formula_sum   'Fe14 S7'
_cell_volume   261.17150054
_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  0.46707200  0.46707200  0.84749800  1.0
  Fe  Fe1  1  0.30951800  0.30951800  0.96728800  1.0
  Fe  Fe2  1  0.02534200  0.02534200  0.63602400  1.0
  Fe  Fe3  1  0.89052400  0.89052400  0.75017100  1.0
  Fe  Fe4  1  0.29039100  0.29039100  0.56789900  1.0
  Fe  Fe5  1  0.60540400  0.60540400  0.73348300  1.0
  Fe  Fe6  1  0.72722100  0.72722100  0.46466100  1.0
  Fe  Fe7  1  0.43910000  0.43910000  0.45605400  1.0
  Fe  Fe8  1  0.16141700  0.16141700  0.28572500  1.0
  Fe  Fe9  1  0.86403300  0.86403300  0.35104100  1.0
  Fe  Fe10  1  0.60266300  0.60266300  0.18403300  1.0
  Fe  Fe11  1  0.31783900  0.31783900  0.17068000  1.0
  Fe  Fe12  1  0.02060100  0.02060100  0.00409700  1.0
  Fe  Fe13  1  0.73239400  0.73239400  0.06540300  1.0
  S  S14  1  0.62553000  0.62553000  0.93658600  1.0
  S  S15  1  0.22881900  0.22881900  0.80096600  1.0
  S  S16  1  0.76781000  0.76781000  0.64498700  1.0
  S  S17  1  0.06084100  0.06084100  0.52044700  1.0
  S  S18  1  0.59499000  0.59499000  0.36407500  1.0
  S  S19  1  0.91599500  0.91599500  0.23821500  1.0
  S  S20  1  0.46768800  0.46768800  0.08217400  1.0