data_[Ba4Tl8Hg4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.5083]
_cell_length_b [10.8080]
_cell_length_c [6.4380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaTl2HgO2]
_chemical_formula_sum '[Ba4 Tl8 Hg4 O8]'
_cell_volume [731.1885]
_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  0.1146  0.2500  1.0
  Tl  Tl1  8  0.2248  0.3991  0.2500  1.0
  Hg  Hg2  4  0.0000  0.3560  0.7500  1.0
  O  O3  8  0.1564  0.0000  0.0000  1.0
]