data_[Ba4Hg2Te2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2690]
_cell_length_b [6.1793]
_cell_length_c [6.3658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2HgTeO6]
_chemical_formula_sum '[Ba4 Hg2 Te2 O12]'
_cell_volume [321.4130]
_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  0.2486  0.0000  0.2481  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  Te  Te2  2  0.0000  0.5000  0.0000  1.0
  O  O3  8  0.0378  0.2775  0.8247  1.0
  O  O4  4  0.2382  0.5000  0.3143  1.0
]