data_[Th4Al12Zn4Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2267]
_cell_length_b [12.7260]
_cell_length_c [5.7903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThAl3ZnCu]
_chemical_formula_sum '[Th4 Al12 Zn4 Cu4]'
_cell_volume [458.8312]
_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  4  0.0000  0.2895  0.7500  1
  Al  Al1  8  0.2093  0.5000  0.0000  1
  Al  Al2  4  0.0000  0.1355  0.2500  1
  Zn  Zn3  4  0.0000  0.3481  0.2500  1
  Cu  Cu4  4  0.0000  0.0714  0.7500  1
]