# generated using pymatgen
data_Fe7S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24971213
_cell_length_b   5.71834014
_cell_length_c   11.17633642
_cell_angle_alpha   90.00000000
_cell_angle_beta   97.48058385
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7S8
_chemical_formula_sum   'Fe14 S16'
_cell_volume   396.02023819
_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  0.34267000  0.01418700  0.38505000  1
  Fe  Fe1  1  0.23908600  0.46039200  0.51962200  1
  Fe  Fe2  1  0.90812900  0.52323400  0.35616000  1
  Fe  Fe3  1  0.09187100  0.02323400  0.64384000  1
  Fe  Fe4  1  0.76091400  0.96039200  0.48037800  1
  Fe  Fe5  1  0.65733000  0.51418700  0.61495000  1
  Fe  Fe6  1  0.90494600  0.98290400  0.85334600  1
  Fe  Fe7  1  0.50057600  0.99839700  0.74879200  1
  Fe  Fe8  1  0.34693000  0.48881300  0.88267100  1
  Fe  Fe9  1  0.76762700  0.53701800  0.97763300  1
  Fe  Fe10  1  0.65307000  0.98881300  0.11732900  1
  Fe  Fe11  1  0.23237300  0.03701800  0.02236700  1
  Fe  Fe12  1  0.49942400  0.49839700  0.25120800  1
  Fe  Fe13  1  0.09505400  0.48290400  0.14665400  1
  S  S14  1  0.95472400  0.66239000  0.56693700  1
  S  S15  1  0.57166200  0.32221900  0.43728400  1
  S  S16  1  0.78442900  0.16154300  0.67162600  1
  S  S17  1  0.42833800  0.82221900  0.56271600  1
  S  S18  1  0.68821200  0.67387500  0.79602900  1
  S  S19  1  0.31805400  0.32552200  0.70160600  1
  S  S20  1  0.57463800  0.17652400  0.93737900  1
  S  S21  1  0.21914200  0.83809500  0.82626500  1
  S  S22  1  0.42536200  0.67652400  0.06262100  1
  S  S23  1  0.04979000  0.33611700  0.93036000  1
  S  S24  1  0.31178800  0.17387500  0.20397100  1
  S  S25  1  0.95021000  0.83611700  0.06964000  1
  S  S26  1  0.21557100  0.66154300  0.32837400  1
  S  S27  1  0.78085800  0.33809500  0.17373500  1
  S  S28  1  0.68194600  0.82552200  0.29839400  1
  S  S29  1  0.04527600  0.16239000  0.43306300  1
