data_[Cr16Fe4Cu4S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.9119]
_cell_length_b [9.9119]
_cell_length_c [9.9119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Cr4FeCuS8]
_chemical_formula_sum '[Cr16 Fe4 Cu4 S32]'
_cell_volume [973.8034]
_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
[
  Cr  Cr0  16  0.1227  0.1227  0.3773  1
  Fe  Fe1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.2500  0.2500  0.7500  1
  S  S3  16  0.1171  0.1171  0.6171  1
  S  S4  16  0.1329  0.1329  0.1329  1
]