data_[Zr20Tl4Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6869]
_cell_length_b [7.6869]
_cell_length_c [12.4730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Zr5TlCd2]
_chemical_formula_sum '[Zr20 Tl4 Cd8]'
_cell_volume [737.0017]
_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
[
  Zr  Zr0  16  0.1540  0.3460  0.3390  1
  Zr  Zr1  4  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.0000  0.2500  1
  Cd  Cd3  8  0.1395  0.3605  0.0000  1
]