# generated using pymatgen
data_Fe7S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53462913
_cell_length_b   6.53462913
_cell_length_c   11.52931416
_cell_angle_alpha   68.14462647
_cell_angle_beta   68.14462647
_cell_angle_gamma   61.45561046
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7S8
_chemical_formula_sum   'Fe14 S16'
_cell_volume   389.81673464
_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  0.21772300  0.60358600  0.97001200  1.0
  Fe  Fe1  1  0.39641400  0.78227700  0.52998800  1.0
  Fe  Fe2  1  0.78227700  0.39641400  0.02998800  1.0
  Fe  Fe3  1  0.60358600  0.21772300  0.47001200  1.0
  Fe  Fe4  1  0.17188100  0.38025000  0.22961400  1.0
  Fe  Fe5  1  0.61975000  0.82811900  0.27038600  1.0
  Fe  Fe6  1  0.82811900  0.61975000  0.77038600  1.0
  Fe  Fe7  1  0.38025000  0.17188100  0.72961400  1.0
  Fe  Fe8  1  0.00165900  0.20960500  0.50083400  1.0
  Fe  Fe9  1  0.79039500  0.99834100  0.99916600  1.0
  Fe  Fe10  1  0.99834100  0.79039500  0.49916600  1.0
  Fe  Fe11  1  0.20960500  0.00165900  0.00083400  1.0
  Fe  Fe12  1  0.19787000  0.80213000  0.25000000  1.0
  Fe  Fe13  1  0.80213000  0.19787000  0.75000000  1.0
  S  S14  1  0.12671500  0.40393700  0.88238400  1.0
  S  S15  1  0.59606300  0.87328500  0.61761600  1.0
  S  S16  1  0.87328500  0.59606300  0.11761600  1.0
  S  S17  1  0.40393700  0.12671500  0.38238400  1.0
  S  S18  1  0.39158800  0.58557600  0.10995600  1.0
  S  S19  1  0.41442400  0.60841200  0.39004400  1.0
  S  S20  1  0.60841200  0.41442400  0.89004400  1.0
  S  S21  1  0.58557600  0.39158800  0.60995600  1.0
  S  S22  1  0.86426700  0.05116600  0.15376300  1.0
  S  S23  1  0.94883400  0.13573300  0.34623700  1.0
  S  S24  1  0.13573300  0.94883400  0.84623700  1.0
  S  S25  1  0.05116600  0.86426700  0.65376300  1.0
  S  S26  1  0.07774500  0.37638900  0.62933300  1.0
  S  S27  1  0.62361100  0.92225500  0.87066700  1.0
  S  S28  1  0.92225500  0.62361100  0.37066700  1.0
  S  S29  1  0.37638900  0.07774500  0.12933300  1.0