data_[Ti3Zn6Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9018]
_cell_length_b [2.9018]
_cell_length_c [28.5275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TiZn2Cd]
_chemical_formula_sum '[Ti3 Zn6 Cd3]'
_cell_volume [208.0308]
_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
[
  Ti  Ti0  3  0.0000  0.0000  0.5002  1
  Zn  Zn1  3  0.0000  0.0000  0.0876  1
  Zn  Zn2  3  0.0000  0.0000  0.2459  1
  Cd  Cd3  3  0.0000  0.0000  0.6663  1
]