data_[Th18Zn6Cu12]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [8.2321]
_cell_length_b [8.2321]
_cell_length_c [15.1807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Th3ZnCu2]
_chemical_formula_sum '[Th18 Zn6 Cu12]'
_cell_volume [890.9409]
_cell_formula_units_Z [6]
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  18  0.0000  0.3238  0.7500  1
  Zn  Zn1  6  0.0000  0.0000  0.0000  1
  Cu  Cu2  12  0.0000  0.0000  0.1650  1
]