data_[Tl8Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4982]
_cell_length_b [3.3329]
_cell_length_c [8.5790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2Ag]
_chemical_formula_sum '[Tl8 Ag4]'
_cell_volume [322.2459]
_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
[
  Tl  Tl0  2  0.1128  0.0000  0.5618  1.0
  Tl  Tl1  2  0.1955  0.5000  0.9374  1.0
  Tl  Tl2  2  0.3612  0.0000  0.3072  1.0
  Tl  Tl3  2  0.3984  0.0000  0.7251  1.0
  Ag  Ag4  2  0.1267  0.5000  0.2639  1.0
  Ag  Ag5  2  0.4720  0.5000  0.0379  1.0
]