data_[Na2Be2Tl2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [6.9566]
_cell_length_b [7.2957]
_cell_length_c [8.8853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaBeTlBr4]
_chemical_formula_sum '[Na2 Be2 Tl2 Br8]'
_cell_volume [429.0306]
_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
[
  Na  Na0  2  0.2330  0.2500  0.5553  1.0
  Be  Be1  2  0.2189  0.7500  0.3149  1.0
  Tl  Tl2  2  0.2583  0.2500  0.0693  1.0
  Br  Br3  4  0.0142  0.5096  0.2703  1.0
  Br  Br4  2  0.4001  0.7500  0.1504  1.0
  Br  Br5  2  0.4104  0.7500  0.5612  1.0
]