# generated using pymatgen
data_Fe11S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62376780
_cell_length_b   6.57901442
_cell_length_c   16.23076955
_cell_angle_alpha   96.53520796
_cell_angle_beta   76.93304439
_cell_angle_gamma   120.22527430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe11S12
_chemical_formula_sum   'Fe22 S24'
_cell_volume   595.32181288
_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  0.24232700  0.55440200  0.83154900  1.0
  Fe  Fe1  1  0.93792500  0.94559800  0.33154900  1.0
  Fe  Fe2  1  0.82616100  0.55765000  0.67111500  1.0
  Fe  Fe3  1  0.51851100  0.94235000  0.17111500  1.0
  Fe  Fe4  1  0.66002600  0.96539300  0.83524400  1.0
  Fe  Fe5  1  0.94463300  0.53460700  0.33524400  1.0
  Fe  Fe6  1  0.84178000  0.99657500  0.66958100  1.0
  Fe  Fe7  1  0.09520500  0.50342500  0.16958100  1.0
  Fe  Fe8  1  0.30269000  0.50252600  0.65118700  1.0
  Fe  Fe9  1  0.05016400  0.99747400  0.15118700  1.0
  Fe  Fe10  1  0.66222100  0.52280900  0.84403300  1.0
  Fe  Fe11  1  0.38941200  0.97719100  0.34403300  1.0
  Fe  Fe12  1  0.29794900  0.45721200  0.48155500  1.0
  Fe  Fe13  1  0.09073700  0.04278800  0.98155500  1.0
  Fe  Fe14  1  0.43792400  0.03726500  0.51882000  1.0
  Fe  Fe15  1  0.65065900  0.46273500  0.01882000  1.0
  Fe  Fe16  1  0.86260000  0.03732800  0.50159300  1.0
  Fe  Fe17  1  0.07527200  0.46267200  0.00159300  1.0
  Fe  Fe18  1  0.86310700  0.45532200  0.50213000  1.0
  Fe  Fe19  1  0.65778600  0.04467800  0.00213000  1.0
  Fe  Fe20  1  0.28172600  0.02392100  0.81881200  1.0
  Fe  Fe21  1  0.50780500  0.47607900  0.31881200  1.0
  S  S22  1  0.75477400  0.82702700  0.07815600  1.0
  S  S23  1  0.17774700  0.67297300  0.57815600  1.0
  S  S24  1  0.98889900  0.68053400  0.92205300  1.0
  S  S25  1  0.55836500  0.81946600  0.42205300  1.0
  S  S26  1  0.43027100  0.36327200  0.74491500  1.0
  S  S27  1  0.31699900  0.13672800  0.24491500  1.0
  S  S28  1  0.18252100  0.17246900  0.57643900  1.0
  S  S29  1  0.26005200  0.32753100  0.07643900  1.0
  S  S30  1  0.56173900  0.32747500  0.42502400  1.0
  S  S31  1  0.48426400  0.17252500  0.92502400  1.0
  S  S32  1  0.67871300  0.67473500  0.58548400  1.0
  S  S33  1  0.25397900  0.82526500  0.08548400  1.0
  S  S34  1  0.04467600  0.82235900  0.43144200  1.0
  S  S35  1  0.47231700  0.67764100  0.93144200  1.0
  S  S36  1  0.75088400  0.31610400  0.10141100  1.0
  S  S37  1  0.68478000  0.18389600  0.60141100  1.0
  S  S38  1  0.99114700  0.18944600  0.89958400  1.0
  S  S39  1  0.05170100  0.31055400  0.39958400  1.0
  S  S40  1  0.82377300  0.14304600  0.24894600  1.0
  S  S41  1  0.93072700  0.35695400  0.74894600  1.0
  S  S42  1  0.93560800  0.85001900  0.75980800  1.0
  S  S43  1  0.33558900  0.64998100  0.25980800  1.0
  S  S44  1  0.85611600  0.66177900  0.23452100  1.0
  S  S45  1  0.44433700  0.83822100  0.73452100  1.0