data_[Be8Tl4Ag4Br24]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6010]
_cell_length_b [14.9390]
_cell_length_c [6.3899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Be2TlAgBr6]
_chemical_formula_sum '[Be8 Tl4 Ag4 Br24]'
_cell_volume [1298.9908]
_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  0.2448  0.0763  0.8179  1.0
  Tl  Tl1  4  0.0000  0.0666  0.2500  1.0
  Ag  Ag2  4  0.0000  0.4934  0.7500  1.0
  Br  Br3  8  0.1025  0.3814  0.0962  1.0
  Br  Br4  8  0.1428  0.1779  0.6456  1.0
  Br  Br5  8  0.2183  0.0575  0.1517  1.0
]