data_[Th8Al8Ag16]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5073]
_cell_length_b [16.8198]
_cell_length_c [9.3918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThAlAg2]
_chemical_formula_sum '[Th8 Al8 Ag16]'
_cell_volume [712.0066]
_cell_formula_units_Z [8]
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  0.2999  0.7500  1
  Th  Th1  4  0.0000  0.5000  0.0000  1
  Al  Al2  8  0.0000  0.1452  0.0204  1
  Ag  Ag3  8  0.0000  0.3082  0.0966  1
  Ag  Ag4  4  0.0000  0.0583  0.2500  1
  Ag  Ag5  4  0.0000  0.1031  0.7500  1
]