# generated using pymatgen
data_Fe7S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15051470
_cell_length_b   5.73976443
_cell_length_c   11.17199581
_cell_angle_alpha   90.00000000
_cell_angle_beta   96.64598630
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7S8
_chemical_formula_sum   'Fe14 S16'
_cell_volume   391.74915646
_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  0.34860800  0.00259600  0.12715200  1
  Fe  Fe1  1  0.24083900  0.47541800  0.26737400  1
  Fe  Fe2  1  0.89813000  0.51710600  0.10800600  1
  Fe  Fe3  1  0.10187000  0.01710600  0.39199400  1
  Fe  Fe4  1  0.75916100  0.97541800  0.23262600  1
  Fe  Fe5  1  0.65139200  0.50259600  0.37284800  1
  Fe  Fe6  1  0.89813000  0.98289400  0.60800600  1
  Fe  Fe7  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe8  1  0.34860800  0.49740400  0.62715200  1
  Fe  Fe9  1  0.75916100  0.52458200  0.73262600  1
  Fe  Fe10  1  0.65139200  0.99740400  0.87284800  1
  Fe  Fe11  1  0.24083900  0.02458200  0.76737400  1
  Fe  Fe12  1  0.50000000  0.50000000  -0.00000000  1
  Fe  Fe13  1  0.10187000  0.48289400  0.89199400  1
  S  S14  1  0.05441800  0.16745900  0.18424900  1
  S  S15  1  0.94558200  0.66745900  0.31575100  1
  S  S16  1  0.56874700  0.32811600  0.18846900  1
  S  S17  1  0.78930000  0.16309100  0.42570100  1
  S  S18  1  0.43125300  0.82811600  0.31153100  1
  S  S19  1  0.68025200  0.66927700  0.55106700  1
  S  S20  1  0.31974800  0.33072300  0.44893300  1
  S  S21  1  0.56874700  0.17188400  0.68846900  1
  S  S22  1  0.21070000  0.83690900  0.57429900  1
  S  S23  1  0.43125300  0.67188400  0.81153100  1
  S  S24  1  0.05441800  0.33254100  0.68424900  1
  S  S25  1  0.31974800  0.16927700  0.94893300  1
  S  S26  1  0.94558200  0.83254100  0.81575100  1
  S  S27  1  0.21070000  0.66309100  0.07429900  1
  S  S28  1  0.78930000  0.33690900  0.92570100  1
  S  S29  1  0.68025200  0.83072300  0.05106700  1
