data_[Li2Mg2Tl2Br8]
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 [P2_1/m]
_cell_length_a [6.6968]
_cell_length_b [8.1617]
_cell_length_c [8.8805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiMgTlBr4]
_chemical_formula_sum '[Li2 Mg2 Tl2 Br8]'
_cell_volume [473.3429]
_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  0.2939  0.2500  0.6802  1.0
  Mg  Mg1  2  0.2145  0.7500  0.3181  1.0
  Tl  Tl2  2  0.1945  0.2500  0.0846  1.0
  Br  Br3  4  0.0460  0.0201  0.7308  1.0
  Br  Br4  2  0.3905  0.7500  0.0935  1.0
  Br  Br5  2  0.4826  0.2500  0.4601  1.0
]