data_[Mg16Tl4Cd2]
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 [C2/m]
_cell_length_a [16.5204]
_cell_length_b [4.5425]
_cell_length_c [7.1505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8Tl2Cd]
_chemical_formula_sum '[Mg16 Tl4 Cd2]'
_cell_volume [513.2069]
_cell_formula_units_Z [2]
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  4  0.0407  0.0000  0.7313  1.0
  Mg  Mg1  4  0.0899  0.5000  0.4510  1.0
  Mg  Mg2  4  0.1382  0.0000  0.1848  1.0
  Mg  Mg3  4  0.1767  0.5000  0.9134  1.0
  Tl  Tl4  4  0.2186  0.0000  0.6500  1.0
  Cd  Cd5  2  0.0000  0.5000  0.0000  1.0
]