data_[Th6Zn3Cd48]
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 [R3m]
_cell_length_a [10.0807]
_cell_length_b [10.0807]
_cell_length_c [14.8097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Th2ZnCd16]
_chemical_formula_sum '[Th6 Zn3 Cd48]'
_cell_volume [1303.3368]
_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
[
  Th  Th0  3  0.0000  0.0000  0.3296  1
  Th  Th1  3  0.0000  0.0000  0.6649  1
  Zn  Zn2  3  0.0000  0.0000  0.9057  1
  Cd  Cd3  18  0.0019  0.3022  1.0000  1
  Cd  Cd4  9  0.0255  0.5128  0.8533  1
  Cd  Cd5  9  0.0461  0.5231  0.4941  1
  Cd  Cd6  9  0.0569  0.5285  0.1544  1
  Cd  Cd7  3  0.0000  0.0000  0.0948  1
]