data_[Th4Zn4Cd4]
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 [Cm]
_cell_length_a [11.1554]
_cell_length_b [4.3382]
_cell_length_c [6.7338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ThZnCd]
_chemical_formula_sum '[Th4 Zn4 Cd4]'
_cell_volume [299.4071]
_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
[
  Th  Th0  2  0.0458  0.0000  0.2484  1
  Th  Th1  2  0.3375  0.0000  0.7862  1
  Zn  Zn2  2  0.0362  0.0000  0.7510  1
  Zn  Zn3  2  0.1053  0.5000  0.5990  1
  Cd  Cd4  2  0.1949  0.5000  0.0356  1
  Cd  Cd5  2  0.3474  0.0000  0.3077  1
]