data_[Li10Tl4Ag10]
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 [13.6297]
_cell_length_b [4.4098]
_cell_length_c [8.4657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5Tl2Ag5]
_chemical_formula_sum '[Li10 Tl4 Ag10]'
_cell_volume [430.0671]
_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
[
  Li  Li0  4  0.0856  0.0000  0.7636  1
  Li  Li1  4  0.2462  0.0000  0.2386  1
  Li  Li2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.1590  0.0000  0.5024  1
  Ag  Ag4  4  0.0722  0.5000  0.2207  1
  Ag  Ag5  4  0.1754  0.5000  0.9997  1
  Ag  Ag6  2  0.0000  0.5000  0.5000  1
]