data_[Be2Tl2In2Br8]
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 [P2_1/m]
_cell_length_a [7.0201]
_cell_length_b [7.2963]
_cell_length_c [9.5969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BeTlInBr4]
_chemical_formula_sum '[Be2 Tl2 In2 Br8]'
_cell_volume [464.2090]
_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
[
  Be  Be0  2  0.1963  0.7500  0.2834  1.0
  Tl  Tl1  2  0.2836  0.2500  0.0790  1.0
  In  In2  2  0.2155  0.2500  0.5392  1.0
  Br  Br3  4  0.0025  0.0085  0.7788  1.0
  Br  Br4  2  0.3514  0.7500  0.5239  1.0
  Br  Br5  2  0.4113  0.7500  0.1600  1.0
]