data_[Ba2Hg2Ge2Te6]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0511]
_cell_length_b [4.5752]
_cell_length_c [10.5263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaHgGeTe3]
_chemical_formula_sum '[Ba2 Hg2 Ge2 Te6]'
_cell_volume [424.3946]
_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  0.1951  0.2500  0.2404  1.0
  Hg  Hg1  2  0.1117  0.2500  0.6146  1.0
  Ge  Ge2  2  0.3397  0.7500  0.8801  1.0
  Te  Te3  2  0.1028  0.2500  0.8801  1.0
  Te  Te4  2  0.2478  0.7500  0.5190  1.0
  Te  Te5  2  0.4461  0.7500  0.1480  1.0
]