data_[Li2Tl1Pd1Br6]
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
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6681]
_cell_length_b [6.6858]
_cell_length_c [8.5551]
_cell_angle_alpha [89.1872]
_cell_angle_beta [67.4406]
_cell_angle_gamma [62.8117]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2TlPdBr6]
_chemical_formula_sum '[Li2 Tl1 Pd1 Br6]'
_cell_volume [307.2139]
_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  0.3561  0.3303  0.4907  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  1  0.0000  0.0000  0.5000  1.0
  Br  Br3  2  0.1321  0.2516  0.3137  1.0
  Br  Br4  2  0.1892  0.0554  0.6893  1.0
  Br  Br5  2  0.4534  0.6165  0.2984  1.0
]