data_[Ba4Hg2Bi2]
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 [P2_1/m]
_cell_length_a [7.0127]
_cell_length_b [5.1901]
_cell_length_c [9.7381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2HgBi]
_chemical_formula_sum '[Ba4 Hg2 Bi2]'
_cell_volume [333.3083]
_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  0.2027  0.2500  0.4359  1.0
  Ba  Ba1  2  0.2972  0.7500  0.0680  1.0
  Hg  Hg2  2  0.3862  0.7500  0.7073  1.0
  Bi  Bi3  2  0.1277  0.2500  0.7897  1.0
]