data_[Tl12Cd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [5.6368]
_cell_length_b [19.4179]
_cell_length_c [8.4318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Cd5]
_chemical_formula_sum '[Tl12 Cd20]'
_cell_volume [897.6870]
_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
[
  Tl  Tl0  4  0.0000  0.2016  0.0000  1.0
  Tl  Tl1  4  0.0000  0.2142  0.5000  1.0
  Tl  Tl2  4  0.1891  0.5000  0.3782  1.0
  Cd  Cd3  8  0.0851  0.3549  0.1942  1.0
  Cd  Cd4  8  0.1355  0.0904  0.2842  1.0
  Cd  Cd5  4  0.2480  0.5000  0.9972  1.0
]