data_[Mg32Tl12Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Fmmm]
_cell_length_a [6.7215]
_cell_length_b [10.3807]
_cell_length_c [16.7124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Mg8Tl3Cd]
_chemical_formula_sum '[Mg32 Tl12 Cd4]'
_cell_volume [1166.0921]
_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
[
  Mg  Mg0  16  0.0000  0.2469  0.4069  1
  Mg  Mg1  16  0.2479  0.0000  0.3474  1
  Tl  Tl2  8  0.2500  0.2500  0.2500  1
  Tl  Tl3  4  0.0000  0.0000  0.0000  1
  Cd  Cd4  4  0.0000  0.0000  0.5000  1
]