data_[Cr6Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4452]
_cell_length_b [2.9759]
_cell_length_c [7.4556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrCd]
_chemical_formula_sum '[Cr6 Cd6]'
_cell_volume [196.4375]
_cell_formula_units_Z [6]
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  4  0.1656  0.5000  0.4042  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  Cd  Cd2  4  0.1773  0.5000  0.8060  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
]