data_[Ce16Hg2Sb10]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.4228]
_cell_length_b [9.4228]
_cell_length_c [9.5028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ce8HgSb5]
_chemical_formula_sum '[Ce16 Hg2 Sb10]'
_cell_volume [843.7506]
_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  0.0718  0.8258  0.1993  1.0
  Ce  Ce1  8  0.0776  0.6785  0.5520  1.0
  Hg  Hg2  2  0.0000  0.5000  0.2500  1.0
  Sb  Sb3  8  0.1237  0.7473  0.8759  1.0
  Sb  Sb4  2  0.0000  0.0000  0.5000  1.0
]