data_[Mg3Tl2Cd2]
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 [P-1]
_cell_length_a [4.9810]
_cell_length_b [5.1738]
_cell_length_c [7.6573]
_cell_angle_alpha [100.1303]
_cell_angle_beta [97.2435]
_cell_angle_gamma [117.1870]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg3(TlCd)2]
_chemical_formula_sum '[Mg3 Tl2 Cd2]'
_cell_volume [167.9262]
_cell_formula_units_Z [1]
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  2  0.4390  0.8430  0.2884  1
  Mg  Mg1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.2728  0.5836  0.8504  1
  Cd  Cd3  2  0.1601  0.2577  0.4186  1
]