data_[Ba1Tl1Hg2]
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 [Pm]
_cell_length_a [4.3983]
_cell_length_b [4.7083]
_cell_length_c [6.9314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaTlHg2]
_chemical_formula_sum '[Ba1 Tl1 Hg2]'
_cell_volume [137.0599]
_cell_formula_units_Z [1]
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  1  0.7676  0.5000  0.2048  1.0
  Tl  Tl1  1  0.4786  0.0000  0.5703  1.0
  Hg  Hg2  1  0.0936  0.5000  0.7300  1.0
  Hg  Hg3  1  0.1602  0.0000  0.9949  1.0
]