# generated using pymatgen
data_Fe7S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64482158
_cell_length_b   6.64482158
_cell_length_c   15.77436323
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7S8
_chemical_formula_sum   'Fe21 S24'
_cell_volume   603.18303343
_cell_formula_units_Z   3
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  0.47936500  0.47245400  0.17967600  1
  Fe  Fe1  1  0.52754600  0.00691200  0.51301000  1
  Fe  Fe2  1  0.99308800  0.52063500  0.84634300  1
  Fe  Fe3  1  0.43273200  0.96295700  0.16240900  1
  Fe  Fe4  1  0.03704300  0.46977400  0.49574300  1
  Fe  Fe5  1  0.53022600  0.56726800  0.82907600  1
  Fe  Fe6  1  0.01249500  0.96216500  0.16220500  1
  Fe  Fe7  1  0.03783500  0.05033000  0.49553800  1
  Fe  Fe8  1  0.94967000  0.98750500  0.82887200  1
  Fe  Fe9  1  0.01012900  0.54171600  0.15383500  1
  Fe  Fe10  1  0.45828400  0.46841300  0.48716900  1
  Fe  Fe11  1  0.53158700  0.98987100  0.82050200  1
  Fe  Fe12  1  0.52737200  0.00215500  0.33439800  1
  Fe  Fe13  1  0.99784500  0.52521700  0.66773200  1
  Fe  Fe14  1  0.47478300  0.47262800  0.00106500  1
  Fe  Fe15  1  0.95203800  0.00003400  0.32496200  1
  Fe  Fe16  1  0.99996600  0.95200300  0.65829500  1
  Fe  Fe17  1  0.04799700  0.04796200  0.99162900  1
  Fe  Fe18  1  0.95529400  0.43026400  0.31971600  1
  Fe  Fe19  1  0.56973600  0.52503000  0.65304900  1
  Fe  Fe20  1  0.47497000  0.04470600  0.98638300  1
  S  S21  1  0.16435700  0.33018100  0.09056900  1
  S  S22  1  0.66981900  0.83417600  0.42390200  1
  S  S23  1  0.16582400  0.83564300  0.75723600  1
  S  S24  1  0.15946400  0.83448600  0.06603000  1
  S  S25  1  0.16551400  0.32497800  0.39936300  1
  S  S26  1  0.67502200  0.84053600  0.73269600  1
  S  S27  1  0.64525200  0.32625800  0.08884200  1
  S  S28  1  0.67374200  0.31899400  0.42217600  1
  S  S29  1  0.68100600  0.35474800  0.75550900  1
  S  S30  1  0.64264700  0.80398100  0.08866300  1
  S  S31  1  0.19601900  0.83866600  0.42199600  1
  S  S32  1  0.16133400  0.35735300  0.75533000  1
  S  S33  1  0.31722900  0.14342900  0.25465000  1
  S  S34  1  0.85657100  0.17380000  0.58798300  1
  S  S35  1  0.82620000  0.68277100  0.92131700  1
  S  S36  1  0.31385800  0.64949500  0.24819000  1
  S  S37  1  0.35050500  0.66436300  0.58152300  1
  S  S38  1  0.33563700  0.68614200  0.91485600  1
  S  S39  1  0.81879500  0.64735400  0.25161100  1
  S  S40  1  0.35264600  0.17144100  0.58494400  1
  S  S41  1  0.82855900  0.18120500  0.91827700  1
  S  S42  1  0.80610400  0.13971400  0.22894400  1
  S  S43  1  0.86028600  0.66639000  0.56227700  1
  S  S44  1  0.33361000  0.19389600  0.89561000  1
