data_[Th4Zn2Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5204]
_cell_length_b [5.1018]
_cell_length_c [17.0446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Th2ZnCd3]
_chemical_formula_sum '[Th4 Zn2 Cd6]'
_cell_volume [306.1276]
_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
[
  Th  Th0  2  0.0000  0.0000  0.8887  1
  Th  Th1  2  0.0000  0.5000  0.6038  1
  Zn  Zn2  2  0.0000  0.5000  0.0605  1
  Cd  Cd3  2  0.0000  0.0000  0.2836  1
  Cd  Cd4  2  0.0000  0.0000  0.4495  1
  Cd  Cd5  2  0.0000  0.5000  0.2139  1
]