data_[Li5Tl4Ag2]
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 [P2/m]
_cell_length_a [7.5761]
_cell_length_b [3.2091]
_cell_length_c [9.6419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li5(Tl2Ag)2]
_chemical_formula_sum '[Li5 Tl4 Ag2]'
_cell_volume [234.0873]
_cell_formula_units_Z [1]
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  2  0.1547  0.0000  0.1444  1.0
  Li  Li1  2  0.4372  0.0000  0.6774  1.0
  Li  Li2  1  0.5000  0.0000  0.0000  1.0
  Tl  Tl3  2  0.2003  0.5000  0.8895  1.0
  Tl  Tl4  2  0.2675  0.5000  0.4139  1.0
  Ag  Ag5  2  0.0793  0.0000  0.6397  1.0
]