data_[Mn4Cr16Cd4Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.7886]
_cell_length_b [10.7886]
_cell_length_c [10.7886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [MnCr4CdSe8]
_chemical_formula_sum '[Mn4 Cr16 Cd4 Se32]'
_cell_volume [1255.7264]
_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
[
  Mn  Mn0  4  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  16  0.1252  0.1252  0.8748  1.0
  Cd  Cd2  4  0.2500  0.2500  0.2500  1.0
  Se  Se3  16  0.1095  0.1095  0.1095  1.0
  Se  Se4  16  0.1360  0.1360  0.6360  1.0
]