data_[Ca8Tl8Cd4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8921]
_cell_length_b [4.8529]
_cell_length_c [11.3593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Tl2Cd]
_chemical_formula_sum '[Ca8 Tl8 Cd4]'
_cell_volume [592.5089]
_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
[
  Ca  Ca0  4  0.0144  0.0000  0.3373  1
  Ca  Ca1  4  0.1762  0.0000  0.0996  1
  Tl  Tl2  4  0.0402  0.5000  0.8825  1
  Tl  Tl3  4  0.1409  0.5000  0.5782  1
  Cd  Cd4  4  0.2139  0.5000  0.3369  1
]