data_[Li6Tl3Cr3Br18]
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
  Cr  1.6600  1.4000  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0241]
_cell_length_b [7.0241]
_cell_length_c [19.7137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2TlCrBr6]
_chemical_formula_sum '[Li6 Tl3 Cr3 Br18]'
_cell_volume [842.3284]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5236  1.0
  Li  Li1  3  0.0000  0.0000  0.9998  1.0
  Tl  Tl2  3  0.0000  0.0000  0.8101  1.0
  Cr  Cr3  3  0.0000  0.0000  0.3297  1.0
  Br  Br4  9  0.0140  0.3128  0.2585  1.0
  Br  Br5  9  0.0849  0.7296  0.0744  1.0
]