# generated using pymatgen
data_Fe7S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24971232
_cell_length_b   12.07402683
_cell_length_c   5.71834054
_cell_angle_alpha   89.93923913
_cell_angle_beta   89.92158309
_cell_angle_gamma   113.39735277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7S8
_chemical_formula_sum   'Fe14 S16'
_cell_volume   396.01931911
_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  0.04533500  0.01090700  0.98581300  1.0
  Fe  Fe1  1  0.28349100  0.14547900  0.53960800  1.0
  Fe  Fe2  1  0.45098700  0.98201700  0.47676600  1.0
  Fe  Fe3  1  0.54483000  0.26748200  0.98012200  1.0
  Fe  Fe4  1  0.71536200  0.10316500  0.03769900  1.0
  Fe  Fe5  1  0.96057600  0.24080800  0.49038100  1.0
  Fe  Fe6  1  0.95135500  0.47920400  0.01709600  1.0
  Fe  Fe7  1  0.25117200  0.37464900  0.00160300  1.0
  Fe  Fe8  1  0.53869600  0.50852800  0.51118700  1.0
  Fe  Fe9  1  0.21296100  0.60349000  0.46298200  1.0
  Fe  Fe10  1  0.46550200  0.74299500  0.00833700  1.0
  Fe  Fe11  1  0.78757800  0.64561600  0.96402700  1.0
  Fe  Fe12  1  0.74910000  0.87571400  0.50006100  1.0
  Fe  Fe13  1  0.04610200  0.76961100  0.51752500  1.0
  S  S14  1  0.61516800  0.19279400  0.33761000  1.0
  S  S15  1  0.86857800  0.06314100  0.67778100  1.0
  S  S16  1  0.89015200  0.29748300  0.83845700  1.0
  S  S17  1  0.13346800  0.18724400  0.17677600  1.0
  S  S18  1  0.11077200  0.42188600  0.32612500  1.0
  S  S19  1  0.38650800  0.32746300  0.67447800  1.0
  S  S20  1  0.36569600  0.56323600  0.82347600  1.0
  S  S21  1  0.61007900  0.45212300  0.16190500  1.0
  S  S22  1  0.63357000  0.68726300  0.32514100  1.0
  S  S23  1  0.88352600  0.55621700  0.66388300  1.0
  S  S24  1  0.88484300  0.82804100  0.82800800  1.0
  S  S25  1  0.11874100  0.69399200  0.16392300  1.0
  S  S26  1  0.10888700  0.95251100  0.33755600  1.0
  S  S27  1  0.38908900  0.79888800  0.66105200  1.0
  S  S28  1  0.60980300  0.92206700  0.17542400  1.0
  S  S29  1  0.38807400  0.05598700  0.83519900  1.0