data_[Be8Tl4In4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6205]
_cell_length_b [14.5068]
_cell_length_c [10.4941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Be2TlInBr6]
_chemical_formula_sum '[Be8 Tl4 In4 Br24]'
_cell_volume [1526.0479]
_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
[
  Be  Be0  8  0.2389  0.0950  0.7207  1.0
  Tl  Tl1  4  0.0000  0.2013  0.2500  1.0
  In  In2  4  0.0000  0.4057  0.7500  1.0
  Br  Br3  8  0.0875  0.3946  0.1097  1.0
  Br  Br4  8  0.1481  0.2151  0.6258  1.0
  Br  Br5  8  0.1780  0.0349  0.1386  1.0
]