# generated using pymatgen
data_Fe7S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.23897305
_cell_length_b   6.65359738
_cell_length_c   11.55922875
_cell_angle_alpha   90.00000000
_cell_angle_beta   115.72227519
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7S8
_chemical_formula_sum   'Fe28 S32'
_cell_volume   778.74024809
_cell_formula_units_Z   4
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  0.08975500  0.69256200  0.96967200  1
  Fe  Fe1  1  0.72381100  0.10661600  0.23245900  1
  Fe  Fe2  1  0.50000000  0.30188000  0.25000000  1
  Fe  Fe3  1  0.27618900  0.10661600  0.26754100  1
  Fe  Fe4  1  0.39628700  0.60679000  0.50053900  1
  Fe  Fe5  1  0.50000000  0.69812000  0.75000000  1
  Fe  Fe6  1  0.91024500  0.30743800  0.03032800  1
  Fe  Fe7  1  0.60371300  0.39321000  0.49946100  1
  Fe  Fe8  1  0.27618900  0.89338400  0.76754100  1
  Fe  Fe9  1  0.39628700  0.39321000  0.00053900  1
  Fe  Fe10  1  0.60371300  0.60679000  0.99946100  1
  Fe  Fe11  1  0.41024500  0.19256200  0.53032800  1
  Fe  Fe12  1  0.72381100  0.89338400  0.73245900  1
  Fe  Fe13  1  0.58975500  0.80743800  0.46967200  1
  Fe  Fe14  1  0.58975500  0.19256200  0.96967200  1
  Fe  Fe15  1  0.22381100  0.60661600  0.23245900  1
  Fe  Fe16  1  0.00000000  0.80188000  0.25000000  1
  Fe  Fe17  1  0.77618900  0.60661600  0.26754100  1
  Fe  Fe18  1  0.89628700  0.10679000  0.50053900  1
  Fe  Fe19  1  0.00000000  0.19812000  0.75000000  1
  Fe  Fe20  1  0.41024500  0.80743800  0.03032800  1
  Fe  Fe21  1  0.10371300  0.89321000  0.49946100  1
  Fe  Fe22  1  0.77618900  0.39338400  0.76754100  1
  Fe  Fe23  1  0.89628700  0.89321000  0.00053900  1
  Fe  Fe24  1  0.10371300  0.10679000  0.99946100  1
  Fe  Fe25  1  0.91024500  0.69256200  0.53032800  1
  Fe  Fe26  1  0.22381100  0.39338400  0.73245900  1
  Fe  Fe27  1  0.08975500  0.30743800  0.46967200  1
  S  S28  1  0.73523400  0.13582500  0.88391600  1
  S  S29  1  0.95870700  0.09328800  0.34647600  1
  S  S30  1  0.77315900  0.14718600  0.62842800  1
  S  S31  1  0.26476600  0.86417500  0.11608400  1
  S  S32  1  0.48847100  0.90032800  0.88988700  1
  S  S33  1  0.27315900  0.35281400  0.12842800  1
  S  S34  1  0.51152900  0.09967200  0.11011300  1
  S  S35  1  0.95870700  0.90671200  0.84647600  1
  S  S36  1  0.04129300  0.09328800  0.15352400  1
  S  S37  1  0.48847100  0.09967200  0.38988700  1
  S  S38  1  0.04129300  0.90671200  0.65352400  1
  S  S39  1  0.26476600  0.13582500  0.61608400  1
  S  S40  1  0.51152900  0.90032800  0.61011300  1
  S  S41  1  0.73523400  0.86417500  0.38391600  1
  S  S42  1  0.22684100  0.85281400  0.37157200  1
  S  S43  1  0.72684100  0.64718600  0.87157200  1
  S  S44  1  0.23523400  0.63582500  0.88391600  1
  S  S45  1  0.45870700  0.59328800  0.34647600  1
  S  S46  1  0.27315900  0.64718600  0.62842800  1
  S  S47  1  0.76476600  0.36417500  0.11608400  1
  S  S48  1  0.98847100  0.40032800  0.88988700  1
  S  S49  1  0.77315900  0.85281400  0.12842800  1
  S  S50  1  0.01152900  0.59967200  0.11011300  1
  S  S51  1  0.45870700  0.40671200  0.84647600  1
  S  S52  1  0.54129300  0.59328800  0.15352400  1
  S  S53  1  0.98847100  0.59967200  0.38988700  1
  S  S54  1  0.54129300  0.40671200  0.65352400  1
  S  S55  1  0.76476600  0.63582500  0.61608400  1
  S  S56  1  0.01152900  0.40032800  0.61011300  1
  S  S57  1  0.23523400  0.36417500  0.38391600  1
  S  S58  1  0.72684100  0.35281400  0.37157200  1
  S  S59  1  0.22684100  0.14718600  0.87157200  1
