data_[Th2Al2Zn16Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0954]
_cell_length_b [5.0516]
_cell_length_c [10.8783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThAl(Zn4Au)2]
_chemical_formula_sum '[Th2 Al2 Zn16 Au4]'
_cell_volume [437.8991]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5000  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  8  0.0824  0.2432  0.8056  1
  Zn  Zn3  4  0.1646  0.5000  0.0301  1
  Zn  Zn4  4  0.2146  0.5000  0.6417  1
  Au  Au5  4  0.1458  0.5000  0.3604  1
]