data_[Li4Mg8Tl4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2431]
_cell_length_b [14.0252]
_cell_length_c [7.9051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMg2TlBr6]
_chemical_formula_sum '[Li4 Mg8 Tl4 Br24]'
_cell_volume [1474.7718]
_cell_formula_units_Z [4]
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  0.0000  0.2041  0.7500  1.0
  Mg  Mg1  8  0.1892  0.4232  0.1909  1.0
  Tl  Tl2  4  0.0000  0.1232  0.2500  1.0
  Br  Br3  8  0.1164  0.2665  0.0548  1.0
  Br  Br4  8  0.1209  0.0783  0.6863  1.0
  Br  Br5  8  0.1335  0.4404  0.4650  1.0
]