data_[Ti2Zn2Cd4]
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 [Cm]
_cell_length_a [5.0674]
_cell_length_b [3.0452]
_cell_length_c [9.9265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TiZnCd2]
_chemical_formula_sum '[Ti2 Zn2 Cd4]'
_cell_volume [151.4358]
_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
[
  Ti  Ti0  2  0.4830  0.0000  0.4996  1
  Zn  Zn1  2  0.3409  0.0000  0.0001  1
  Cd  Cd2  2  0.2518  0.5000  0.2464  1
  Cd  Cd3  2  0.4243  0.5000  0.7539  1
]