data_[Li4Tl2Ag6Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8345]
_cell_length_b [4.0770]
_cell_length_c [8.8841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Tl(AgBr2)3]
_chemical_formula_sum '[Li4 Tl2 Ag6 Br12]'
_cell_volume [657.2385]
_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  0.1955  0.0000  0.3404  1.0
  Tl  Tl1  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag2  4  0.1734  0.0000  0.7935  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  Br  Br4  4  0.0286  0.0000  0.7331  1.0
  Br  Br5  4  0.1637  0.5000  0.5265  1.0
  Br  Br6  4  0.1824  0.5000  0.1192  1.0
]