data_[Ca6Tl2Cd4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0191]
_cell_length_b [10.4340]
_cell_length_c [5.8911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3TlCd2O6]
_chemical_formula_sum '[Ca6 Tl2 Cd4 O12]'
_cell_volume [348.0233]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  4  0.0000  0.1663  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  4  0.0000  0.3331  0.0000  1.0
  O  O4  8  0.2406  0.3277  0.7400  1.0
  O  O5  4  0.2431  0.5000  0.2626  1.0
]