data_[Cs4Tl4Cd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.9868]
_cell_length_b [6.5080]
_cell_length_c [12.6772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsTlCd5]
_chemical_formula_sum '[Cs4 Tl4 Cd20]'
_cell_volume [823.9401]
_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
[
  Cs  Cs0  4  0.2385  0.2500  0.0623  1
  Tl  Tl1  4  0.1317  0.7500  0.8619  1
  Cd  Cd2  8  0.0749  0.0121  0.3170  1
  Cd  Cd3  4  0.0743  0.7500  0.1077  1
  Cd  Cd4  4  0.0854  0.2500  0.5237  1
  Cd  Cd5  4  0.1785  0.2500  0.7537  1
]