data_[Th3Al6Zn12Ag3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3820]
_cell_length_b [4.3820]
_cell_length_c [26.5727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [ThAl2Zn4Ag]
_chemical_formula_sum '[Th3 Al6 Zn12 Ag3]'
_cell_volume [441.8817]
_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  0.0000  1
  Al  Al1  6  0.0000  0.0000  0.2476  1
  Zn  Zn2  6  0.0000  0.0000  0.1270  1
  Zn  Zn3  6  0.0000  0.0000  0.3988  1
  Ag  Ag4  3  -0.0000  -0.0000  0.5000  1
]