data_[Ba1Hg1Ge1F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2726]
_cell_length_b [5.4934]
_cell_length_c [6.1540]
_cell_angle_alpha [114.6201]
_cell_angle_beta [94.6105]
_cell_angle_gamma [91.3894]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaHgGeF6]
_chemical_formula_sum '[Ba1 Hg1 Ge1 F6]'
_cell_volume [161.1898]
_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  1  0.7737  0.6842  0.3687  1
  Hg  Hg1  1  0.0789  0.0423  0.0379  1
  Ge  Ge2  1  0.4404  0.3268  0.6616  1
  F  F3  1  0.1495  0.1072  0.5674  1
  F  F4  1  0.2894  0.5513  0.5418  1
  F  F5  1  0.3664  0.5133  0.9710  1
  F  F6  1  0.5652  0.1440  0.3626  1
  F  F7  1  0.6014  0.0855  0.7488  1
  F  F8  1  0.7352  0.5454  0.7401  1
]