# generated using pymatgen
data_Cr12Fe3S20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78621200
_cell_length_b   8.64657257
_cell_length_c   7.97618410
_cell_angle_alpha   78.53926077
_cell_angle_beta   88.62155139
_cell_angle_gamma   75.72391853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr12Fe3S20
_chemical_formula_sum   'Cr12 Fe3 S20'
_cell_volume   509.85389475
_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  0.20117700  0.20019800  0.20295500  1.0
  Cr  Cr1  1  0.59882300  0.59980200  0.59704500  1.0
  Cr  Cr2  1  0.84127000  0.63080000  0.32204600  1.0
  Cr  Cr3  1  0.24349400  0.03270300  0.72333700  1.0
  Cr  Cr4  1  0.64039600  0.43679600  0.11801600  1.0
  Cr  Cr5  1  0.03541600  0.82147300  0.51601200  1.0
  Cr  Cr6  1  0.43363400  0.23522800  0.91592400  1.0
  Cr  Cr7  1  0.76458400  0.97852700  0.28398800  1.0
  Cr  Cr8  1  0.15960400  0.36320400  0.68198400  1.0
  Cr  Cr9  1  0.55650600  0.76729700  0.07666300  1.0
  Cr  Cr10  1  0.95873000  0.16920000  0.47795400  1.0
  Cr  Cr11  1  0.36636600  0.56477200  0.88407600  1.0
  Fe  Fe12  1  0.99218000  0.99131600  0.99097600  1.0
  Fe  Fe13  1  0.40000000  0.40000000  0.40000000  1.0
  Fe  Fe14  1  0.80782000  0.80868400  0.80902400  1.0
  S  S15  1  0.89715700  0.19942500  0.17235100  1.0
  S  S16  1  0.69300400  0.99630100  0.98010300  1.0
  S  S17  1  0.50015500  0.79555300  0.77514100  1.0
  S  S18  1  0.29506500  0.59067400  0.57562200  1.0
  S  S19  1  0.09966100  0.39741000  0.37677400  1.0
  S  S20  1  0.29984500  0.00444700  0.02485900  1.0
  S  S21  1  0.10699600  0.80369900  0.81989700  1.0
  S  S22  1  0.90284300  0.60057500  0.62764900  1.0
  S  S23  1  0.70033900  0.40259000  0.42322600  1.0
  S  S24  1  0.50493500  0.20932600  0.22437800  1.0
  S  S25  1  0.37482700  0.59820200  0.15827400  1.0
  S  S26  1  0.17305200  0.40638600  0.95237300  1.0
  S  S27  1  0.97576200  0.19696500  0.75799600  1.0
  S  S28  1  0.77729000  0.99791200  0.56325600  1.0
  S  S29  1  0.57697600  0.80719800  0.35036200  1.0
  S  S30  1  0.82423800  0.60303500  0.04200400  1.0
  S  S31  1  0.62694800  0.39361400  0.84762700  1.0
  S  S32  1  0.42517300  0.20179800  0.64172600  1.0
  S  S33  1  0.22302400  0.99280200  0.44963800  1.0
  S  S34  1  0.02271000  0.80208800  0.23674400  1.0