data_[Th6Tl4Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0546]
_cell_length_b [5.0017]
_cell_length_c [9.3395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3(TlAg2)2]
_chemical_formula_sum '[Th6 Tl4 Ag8]'
_cell_volume [443.1313]
_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  4  0.1639  0.5000  0.6727  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.1147  0.5000  0.2796  1
  Ag  Ag3  4  0.0656  0.0000  0.4040  1
  Ag  Ag4  4  0.2182  0.5000  0.0456  1
]