data_[Ba8Tl4Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5112]
_cell_length_b [5.1991]
_cell_length_c [12.7264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2TlCd2]
_chemical_formula_sum '[Ba8 Tl4 Cd8]'
_cell_volume [742.4956]
_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
[
  Ba  Ba0  4  0.0255  0.0000  0.3423  1.0
  Ba  Ba1  4  0.1989  0.0000  0.1150  1.0
  Tl  Tl2  4  0.2277  0.5000  0.3468  1.0
  Cd  Cd3  4  0.0117  0.5000  0.8895  1.0
  Cd  Cd4  4  0.1362  0.5000  0.5599  1.0
]