data_[Th4Tl2Ag6]
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 [Imm2]
_cell_length_a [3.4405]
_cell_length_b [4.9481]
_cell_length_c [17.8493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Th2TlAg3]
_chemical_formula_sum '[Th4 Tl2 Ag6]'
_cell_volume [303.8658]
_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  0.1343  1
  Th  Th1  2  0.0000  0.5000  0.8659  1
  Tl  Tl2  2  0.0000  0.5000  0.4648  1
  Ag  Ag3  2  0.0000  0.0000  0.5384  1
  Ag  Ag4  2  0.0000  0.0000  0.6909  1
  Ag  Ag5  2  0.0000  0.5000  0.3058  1
]