data_[Tl4Cd20]
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 [Pmc2_1]
_cell_length_a [6.2239]
_cell_length_b [7.3608]
_cell_length_c [12.7586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TlCd5]
_chemical_formula_sum '[Tl4 Cd20]'
_cell_volume [584.5058]
_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  2  0.0000  0.3546  0.5409  1
  Tl  Tl1  2  0.5000  0.4089  0.8225  1
  Cd  Cd2  4  0.2499  0.2064  0.3486  1
  Cd  Cd3  4  0.2523  0.3007  0.1180  1
  Cd  Cd4  2  0.0000  0.0556  0.7033  1
  Cd  Cd5  2  0.0000  0.1272  0.9415  1
  Cd  Cd6  2  0.0000  0.4477  0.7890  1
  Cd  Cd7  2  0.5000  0.0454  0.6995  1
  Cd  Cd8  2  0.5000  0.0627  0.9693  1
  Cd  Cd9  2  0.5000  0.3566  0.5524  1
]