data_[Mg12Tl24Cd4]
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 [Cmc2_1]
_cell_length_a [10.8245]
_cell_length_b [16.7826]
_cell_length_c [6.1427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg3Tl6Cd]
_chemical_formula_sum '[Mg12 Tl24 Cd4]'
_cell_volume [1115.9050]
_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  8  0.1487  0.1180  0.4004  1
  Mg  Mg1  4  0.0000  0.4011  0.2149  1
  Tl  Tl2  8  0.1947  0.4760  0.5633  1
  Tl  Tl3  8  0.2458  0.1999  0.8272  1
  Tl  Tl4  4  0.0000  0.0567  0.8465  1
  Tl  Tl5  4  0.0000  0.3305  0.7126  1
  Cd  Cd6  4  0.0000  0.2243  0.1296  1
]