data_[Li2Be2Tl2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  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 [6.2767]
_cell_length_b [8.1074]
_cell_length_c [8.9341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiBeTlBr4]
_chemical_formula_sum '[Li2 Be2 Tl2 Br8]'
_cell_volume [437.8578]
_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  0.2981  0.2500  0.6657  1.0
  Be  Be1  2  0.1949  0.7500  0.2968  1.0
  Tl  Tl2  2  0.2072  0.2500  0.0891  1.0
  Br  Br3  4  0.0288  0.0346  0.7301  1.0
  Br  Br4  2  0.3507  0.7500  0.1000  1.0
  Br  Br5  2  0.4552  0.7500  0.5128  1.0
]