data_[Ba2Hg2Sb2Te6]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5337]
_cell_length_b [5.0815]
_cell_length_c [10.1825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaHgSbTe3]
_chemical_formula_sum '[Ba2 Hg2 Sb2 Te6]'
_cell_volume [433.6159]
_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  2  0.1945  0.7500  0.2570  1
  Hg  Hg1  2  0.1148  0.7500  0.6049  1
  Sb  Sb2  2  0.3127  0.2500  0.8792  1
  Te  Te3  2  0.0953  0.7500  0.8950  1
  Te  Te4  2  0.2456  0.2500  0.5296  1
  Te  Te5  2  0.4437  0.2500  0.1584  1
]