data_[Mg3Ti3Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9669]
_cell_length_b [6.9669]
_cell_length_c [4.3218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [MgTiCd]
_chemical_formula_sum '[Mg3 Ti3 Cd3]'
_cell_volume [181.6634]
_cell_formula_units_Z [3]
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  3  0.0000  0.2470  0.5000  1
  Ti  Ti1  3  0.0000  0.5593  0.0000  1
  Cd  Cd2  2  0.3333  0.6667  0.5000  1
  Cd  Cd3  1  0.0000  0.0000  0.0000  1
]