data_[Hg24Bi96Sb40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.1813]
_cell_length_b [18.1813]
_cell_length_c [18.1813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Hg3Bi12Sb5]
_chemical_formula_sum '[Hg24 Bi96 Sb40]'
_cell_volume [6010.0068]
_cell_formula_units_Z [8]
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
[
  Hg  Hg0  24  0.0000  0.2500  0.1250  1
  Bi  Bi1  96  0.0167  0.0833  0.6525  1
  Sb  Sb2  24  0.0000  0.2500  0.3750  1
  Sb  Sb3  16  0.0000  0.0000  0.0000  1
]