# generated using pymatgen
data_Cr12Fe3S20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78621245
_cell_length_b   7.97618415
_cell_length_c   8.64657215
_cell_angle_alpha   78.53926326
_cell_angle_beta   75.72391693
_cell_angle_gamma   88.62155457
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr12Fe3S20
_chemical_formula_sum   'Cr12 Fe3 S20'
_cell_volume   509.85390277
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.05873000  0.57795400  0.26920000  1
  Cr  Cr1  1  0.94127000  0.42204600  0.73080000  1
  Cr  Cr2  1  0.13541600  0.61601200  0.92147300  1
  Cr  Cr3  1  0.86458400  0.38398800  0.07852700  1
  Cr  Cr4  1  0.25960400  0.78198400  0.46320400  1
  Cr  Cr5  1  0.74039600  0.21801600  0.53679600  1
  Cr  Cr6  1  0.30117700  0.30295500  0.30019800  1
  Cr  Cr7  1  0.69882300  0.69704500  0.69980200  1
  Cr  Cr8  1  0.34349400  0.82333700  0.13270300  1
  Cr  Cr9  1  0.65650600  0.17666300  0.86729700  1
  Cr  Cr10  1  0.46636600  0.98407600  0.66477200  1
  Cr  Cr11  1  0.53363400  0.01592400  0.33522800  1
  Fe  Fe12  1  0.09218000  0.09097600  0.09131600  1
  Fe  Fe13  1  0.90782000  0.90902400  0.90868400  1
  Fe  Fe14  1  0.50000000  0.50000000  0.50000000  1
  S  S15  1  0.00284300  0.72764900  0.70057500  1
  S  S16  1  0.99715700  0.27235100  0.29942500  1
  S  S17  1  0.07576200  0.85799600  0.29696500  1
  S  S18  1  0.92423800  0.14200400  0.70303500  1
  S  S19  1  0.12271000  0.33674400  0.90208800  1
  S  S20  1  0.87729000  0.66325600  0.09791200  1
  S  S21  1  0.19966100  0.47677400  0.49741000  1
  S  S22  1  0.80033900  0.52322600  0.50259000  1
  S  S23  1  0.20699600  0.91989700  0.90369900  1
  S  S24  1  0.79300400  0.08010300  0.09630100  1
  S  S25  1  0.27305200  0.05237300  0.50638600  1
  S  S26  1  0.72694800  0.94762700  0.49361400  1
  S  S27  1  0.32302400  0.54963800  0.09280200  1
  S  S28  1  0.67697600  0.45036200  0.90719800  1
  S  S29  1  0.39506500  0.67562200  0.69067400  1
  S  S30  1  0.60493500  0.32437800  0.30932600  1
  S  S31  1  0.39984500  0.12485900  0.10444700  1
  S  S32  1  0.60015500  0.87514100  0.89555300  1
  S  S33  1  0.47482700  0.25827400  0.69820200  1
  S  S34  1  0.52517300  0.74172600  0.30179800  1
