data_[Mg2Tl1Cd1]
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 [Pmm2]
_cell_length_a [3.5379]
_cell_length_b [5.1316]
_cell_length_c [5.1836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mg2TlCd]
_chemical_formula_sum '[Mg2 Tl1 Cd1]'
_cell_volume [94.1086]
_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  1  0.5000  0.0000  0.0869  1.0
  Mg  Mg1  1  0.5000  0.5000  0.6681  1.0
  Tl  Tl2  1  0.0000  0.0000  0.5860  1.0
  Cd  Cd3  1  0.0000  0.5000  0.1590  1.0
]