data_[Li4Mg20Tl4Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  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 [7.8488]
_cell_length_b [7.8488]
_cell_length_c [14.4233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [LiMg5TlCd2]
_chemical_formula_sum '[Li4 Mg20 Tl4 Cd8]'
_cell_volume [888.5224]
_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
[
  Li  Li0  4  0.0000  0.0000  0.2500  1
  Mg  Mg1  16  0.2059  0.2941  0.3664  1
  Mg  Mg2  4  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.5000  0.2500  1
  Cd  Cd4  8  0.1211  0.3789  0.0000  1
]