data_[Ba4Tl6Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1737]
_cell_length_b [5.0229]
_cell_length_c [7.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Tl3Hg2]
_chemical_formula_sum '[Ba4 Tl6 Hg4]'
_cell_volume [479.5147]
_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
[
  Ba  Ba0  4  0.1148  0.5000  0.3224  1
  Tl  Tl1  4  0.2033  0.5000  0.8753  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0987  0.0000  0.6562  1
]