data_[Na4Be8Tl4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7316]
_cell_length_b [12.1735]
_cell_length_c [6.6155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaBe2TlCl6]
_chemical_formula_sum '[Na4 Be8 Tl4 Cl24]'
_cell_volume [995.6354]
_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
[
  Na  Na0  4  0.0000  0.3918  0.7500  1.0
  Be  Be1  8  0.2190  0.0836  0.7711  1.0
  Tl  Tl2  4  0.0000  0.1882  0.2500  1.0
  Cl  Cl3  8  0.1205  0.4218  0.1589  1.0
  Cl  Cl4  8  0.1543  0.0243  0.0192  1.0
  Cl  Cl5  8  0.1561  0.2315  0.6997  1.0
]