data_[Zr8Cd4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.2800]
_cell_length_b [4.2800]
_cell_length_c [20.5628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Zr2CdCl]
_chemical_formula_sum '[Zr8 Cd4 Cl4]'
_cell_volume [376.6714]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  8  0.2475  0.2500  0.6250  1
  Cd  Cd1  4  0.0000  0.0000  0.0000  1
  Cl  Cl2  4  0.0000  0.0000  0.5000  1
]