data_[Zn4Cr16Cu4Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.5104]
_cell_length_b [10.5104]
_cell_length_c [10.5104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [ZnCr4CuSe8]
_chemical_formula_sum '[Zn4 Cr16 Cu4 Se32]'
_cell_volume [1161.0589]
_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
[
  Zn  Zn0  4  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  16  0.1232  0.1232  0.8768  1.0
  Cu  Cu2  4  0.2500  0.2500  0.2500  1.0
  Se  Se3  16  0.1168  0.1168  0.1168  1.0
  Se  Se4  16  0.1353  0.1353  0.6353  1.0
]