data_[Ba2Ac2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5515]
_cell_length_b [4.7627]
_cell_length_c [10.8853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaAcHgTe3]
_chemical_formula_sum '[Ba2 Ac2 Hg2 Te6]'
_cell_volume [471.3139]
_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  0.2108  0.7500  0.2378  1
  Ac  Ac1  2  0.3058  0.2500  0.8305  1
  Hg  Hg2  2  0.0997  0.7500  0.6024  1
  Te  Te3  2  0.0809  0.7500  0.8886  1
  Te  Te4  2  0.2435  0.2500  0.5020  1
  Te  Te5  2  0.4453  0.2500  0.1565  1
]