data_[Ba4In4Hg24Bi8]
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 [C2/c]
_cell_length_a [9.9722]
_cell_length_b [12.9672]
_cell_length_c [10.0028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaIn(Hg3Bi)2]
_chemical_formula_sum '[Ba4 In4 Hg24 Bi8]'
_cell_volume [1245.0216]
_cell_formula_units_Z [4]
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  4  0.0000  0.1632  0.2500  1.0
  In  In1  4  0.0000  0.4818  0.2500  1.0
  Hg  Hg2  8  0.0621  0.3596  0.5283  1.0
  Hg  Hg3  8  0.1353  0.0703  0.9257  1.0
  Hg  Hg4  8  0.1824  0.3088  0.8456  1.0
  Bi  Bi5  8  0.1962  0.1165  0.6377  1.0
]