data_[Th12Zn8Cu12]
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 [Cmcm]
_cell_length_a [4.3308]
_cell_length_b [11.1588]
_cell_length_c [13.8271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Th3Zn2Cu3]
_chemical_formula_sum '[Th12 Zn8 Cu12]'
_cell_volume [668.2162]
_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  8  0.0000  0.0762  0.6145  1
  Th  Th1  4  0.0000  0.3611  0.7500  1
  Zn  Zn2  8  0.0000  0.2147  0.0858  1
  Cu  Cu3  8  0.0000  0.3930  0.5380  1
  Cu  Cu4  4  0.0000  0.3369  0.2500  1
]