# generated using pymatgen
data_Fe4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.37220200
_cell_length_b   7.85556400
_cell_length_c   7.85811169
_cell_angle_alpha   89.93737509
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4S5
_chemical_formula_sum   'Fe8 S10'
_cell_volume   640.27460284
_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  0.99600800  0.09627800  0.79274400  1.0
  Fe  Fe1  1  0.99504300  0.20570200  0.09521900  1.0
  Fe  Fe2  1  0.00469200  0.29415500  0.40125800  1.0
  Fe  Fe3  1  0.00567400  0.40210200  0.70503700  1.0
  Fe  Fe4  1  0.99600800  0.90372200  0.20725600  1.0
  Fe  Fe5  1  0.99504300  0.79429800  0.90478100  1.0
  Fe  Fe6  1  0.00469200  0.70584500  0.59874200  1.0
  Fe  Fe7  1  0.00567400  0.59789800  0.29496300  1.0
  S  S8  1  0.87711500  0.11067200  0.29117700  1.0
  S  S9  1  0.12241400  0.20051400  0.60935700  1.0
  S  S10  1  0.87813400  0.29768300  0.88587300  1.0
  S  S11  1  0.12148200  0.39028900  0.20518200  1.0
  S  S12  1  0.88446900  0.50000000  0.50000000  1.0
  S  S13  1  0.87711500  0.88932800  0.70882300  1.0
  S  S14  1  0.12241400  0.79948600  0.39064300  1.0
  S  S15  1  0.87813400  0.70231700  0.11412700  1.0
  S  S16  1  0.12148200  0.60971100  0.79481800  1.0
  S  S17  1  0.11610600  0.00000000  0.00000000  1.0