data_[Li2Tl4Cr2Br12]
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 [P2_1/c]
_cell_length_a [7.3609]
_cell_length_b [7.4575]
_cell_length_c [12.8668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTl2CrBr6]
_chemical_formula_sum '[Li2 Tl4 Cr2 Br12]'
_cell_volume [580.9391]
_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  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2626  0.0527  0.2499  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1774  0.0010  0.7367  1.0
  Br  Br4  4  0.2239  0.7223  0.5268  1.0
  Br  Br5  4  0.3077  0.1988  0.5306  1.0
]