data_[Cs8Hg8Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [12.4060]
_cell_length_b [7.2417]
_cell_length_c [10.0099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2Hg2Bi]
_chemical_formula_sum '[Cs8 Hg8 Bi4]'
_cell_volume [874.7693]
_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
[
  Cs  Cs0  8  0.1500  0.3728  0.1540  1.0
  Hg  Hg1  8  0.1309  0.1274  0.5046  1.0
  Bi  Bi2  4  0.0000  0.1384  0.7500  1.0
]