data_[Ca4Mg4Tl12Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [Cmcm]
_cell_length_a [4.7070]
_cell_length_b [13.6160]
_cell_length_c [10.2128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaMgTl3Cd]
_chemical_formula_sum '[Ca4 Mg4 Tl12 Cd4]'
_cell_volume [654.5368]
_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
[
  Ca  Ca0  4  0.0000  0.1801  0.2500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.0000  0.3441  0.5072  1.0
  Tl  Tl3  4  0.0000  0.1459  0.7500  1.0
  Cd  Cd4  4  0.0000  0.4967  0.7500  1.0
]