data_[Ce16Hg2Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.6047]
_cell_length_b [9.6047]
_cell_length_c [9.6717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ce8HgBi5]
_chemical_formula_sum '[Ce16 Hg2 Bi10]'
_cell_volume [892.2196]
_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
[
  Ce  Ce0  8  0.0735  0.8179  0.7985  1.0
  Ce  Ce1  8  0.0755  0.6756  0.4535  1.0
  Hg  Hg2  2  0.0000  0.5000  0.7500  1.0
  Bi  Bi3  8  0.1217  0.7498  0.1266  1.0
  Bi  Bi4  2  0.0000  0.0000  0.5000  1.0
]