data_[Li8Tl4Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [14.1083]
_cell_length_b [4.7176]
_cell_length_c [7.9954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2TlAg3]
_chemical_formula_sum '[Li8 Tl4 Ag12]'
_cell_volume [443.4552]
_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
[
  Li  Li0  4  0.0293  0.5000  0.2034  1.0
  Li  Li1  4  0.2070  0.0000  0.5670  1.0
  Tl  Tl2  4  0.1350  0.0000  0.1590  1.0
  Ag  Ag3  4  0.0404  0.0000  0.7077  1.0
  Ag  Ag4  4  0.1170  0.5000  0.6041  1.0
  Ag  Ag5  4  0.2034  0.5000  0.0294  1.0
]