data_[Ba2In2Hg4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  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 [7.2658]
_cell_length_b [6.1378]
_cell_length_c [9.4152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaIn(HgBi)2]
_chemical_formula_sum '[Ba2 In2 Hg4 Bi4]'
_cell_volume [411.0822]
_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  0.0750  0.7500  0.3170  1.0
  In  In1  2  0.4469  0.2500  0.7879  1.0
  Hg  Hg2  4  0.2296  0.0060  0.0202  1.0
  Bi  Bi3  2  0.2241  0.7500  0.7047  1.0
  Bi  Bi4  2  0.4342  0.2500  0.4442  1.0
]