data_[Ba3Hg2Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5915]
_cell_length_b [5.8781]
_cell_length_c [10.1581]
_cell_angle_alpha [101.5228]
_cell_angle_beta [90.7567]
_cell_angle_gamma [117.0900]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba3(HgBi)2]
_chemical_formula_sum '[Ba3 Hg2 Bi2]'
_cell_volume [289.1672]
_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  0.2685  0.5596  0.7104  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  2  0.0859  0.1201  0.3750  1
  Bi  Bi3  2  0.3747  0.7422  0.1697  1
]