data_[Ba3Sr3Tl2Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.7759]
_cell_length_b [9.7759]
_cell_length_c [4.7419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ba3Sr3Tl2Hg]
_chemical_formula_sum '[Ba3 Sr3 Tl2 Hg1]'
_cell_volume [392.4536]
_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  3  0.0000  0.2609  0.5000  1.0
  Sr  Sr1  3  0.0000  0.5915  0.0000  1.0
  Tl  Tl2  2  0.3333  0.6667  0.5000  1.0
  Hg  Hg3  1  0.0000  0.0000  0.0000  1.0
]