# generated using pymatgen
data_Fe7S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73976428
_cell_length_b   6.15051429
_cell_length_c   11.17199607
_cell_angle_alpha   83.35401582
_cell_angle_beta   89.96853358
_cell_angle_gamma   90.01344422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7S8
_chemical_formula_sum   'Fe14 S16'
_cell_volume   391.74905430
_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  0.99740400  0.02651600  0.00213700  1.0
  Fe  Fe1  1  0.52458200  0.13428500  0.14236000  1.0
  Fe  Fe2  1  0.48289400  0.47699500  0.98299100  1.0
  Fe  Fe3  1  0.98356500  0.27202300  0.26805600  1.0
  Fe  Fe4  1  0.02567700  0.61657900  0.10737600  1.0
  Fe  Fe5  1  0.49768500  0.72373200  0.24783400  1.0
  Fe  Fe6  1  0.01676300  0.47766800  0.48263000  1.0
  Fe  Fe7  1  0.99971000  0.87452900  0.37483700  1.0
  Fe  Fe8  1  0.50328300  0.02579100  0.50267900  1.0
  Fe  Fe9  1  0.47382500  0.61545600  0.60712700  1.0
  Fe  Fe10  1  0.00214400  0.72400200  0.74810700  1.0
  Fe  Fe11  1  0.97325500  0.13463100  0.64247400  1.0
  Fe  Fe12  1  0.50024900  0.87495600  0.87511600  1.0
  Fe  Fe13  1  0.51761300  0.27280700  0.76674000  1.0
  S  S14  1  0.83254100  0.32070600  0.05923400  1.0
  S  S15  1  0.33527600  0.42945100  0.18963300  1.0
  S  S16  1  0.67188400  0.80637700  0.06345400  1.0
  S  S17  1  0.83690900  0.58582400  0.30068700  1.0
  S  S18  1  0.17286900  0.94325400  0.18651000  1.0
  S  S19  1  0.33072300  0.69487200  0.42605300  1.0
  S  S20  1  0.66965500  0.05664000  0.32362000  1.0
  S  S21  1  0.82751000  0.80672900  0.56352600  1.0
  S  S22  1  0.16341800  0.16370000  0.44899500  1.0
  S  S23  1  0.32778300  0.94218800  0.68649900  1.0
  S  S24  1  0.66545300  0.32111000  0.55902000  1.0
  S  S25  1  0.83102500  0.05521300  0.82398900  1.0
  S  S26  1  0.16637900  0.42945100  0.69118000  1.0
  S  S27  1  0.33781500  0.16528400  0.94957400  1.0
  S  S28  1  0.66199500  0.58572900  0.80114200  1.0
  S  S29  1  0.17011700  0.69350400  0.92642200  1.0