data_[Ba4Na4Tl4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.1167]
_cell_length_b [8.1167]
_cell_length_c [8.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [BaNaTlHg]
_chemical_formula_sum '[Ba4 Na4 Tl4 Hg4]'
_cell_volume [534.7404]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.5000  1.0
  Na  Na1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.7500  1.0
  Hg  Hg3  4  0.2500  0.2500  0.2500  1.0
]