data_[Na2Be2Tl2Cl8]
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 [P2_1/m]
_cell_length_a [6.5568]
_cell_length_b [6.8706]
_cell_length_c [8.5626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaBeTlCl4]
_chemical_formula_sum '[Na2 Be2 Tl2 Cl8]'
_cell_volume [366.4365]
_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  0.2284  0.2500  0.5511  1.0
  Be  Be1  2  0.2166  0.7500  0.3176  1.0
  Tl  Tl2  2  0.2713  0.2500  0.0755  1.0
  Cl  Cl3  4  0.0173  0.5133  0.2744  1.0
  Cl  Cl4  2  0.3968  0.7500  0.1618  1.0
  Cl  Cl5  2  0.4056  0.7500  0.5543  1.0
]