data_[Ba2Ag1Hg6Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6899]
_cell_length_b [7.3199]
_cell_length_c [7.7982]
_cell_angle_alpha [85.0204]
_cell_angle_beta [77.8408]
_cell_angle_gamma [81.6199]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2AgHg6Bi]
_chemical_formula_sum '[Ba2 Ag1 Hg6 Bi1]'
_cell_volume [313.5844]
_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  2  0.4569  0.7431  0.2148  1.0
  Ag  Ag1  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  2  0.1048  0.3821  0.1493  1.0
  Hg  Hg3  2  0.1656  0.1119  0.5461  1.0
  Hg  Hg4  2  0.3931  0.7392  0.7010  1.0
  Bi  Bi5  1  0.0000  0.0000  0.0000  1.0
]