data_[Na2Tl2Hg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5184]
_cell_length_b [7.8075]
_cell_length_c [8.8737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlHgBr4]
_chemical_formula_sum '[Na2 Tl2 Hg2 Br8]'
_cell_volume [500.6723]
_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  0.2174  0.2500  0.5610  1.0
  Tl  Tl1  2  0.2194  0.2500  0.0491  1.0
  Hg  Hg2  2  0.2482  0.7500  0.3273  1.0
  Br  Br3  4  0.0052  0.5049  0.7274  1.0
  Br  Br4  2  0.4605  0.7500  0.1326  1.0
  Br  Br5  2  0.4898  0.7500  0.6077  1.0
]