data_[Ce64Hg16Os16]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [13.7094]
_cell_length_b [13.7094]
_cell_length_c [13.7094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Ce4HgOs]
_chemical_formula_sum '[Ce64 Hg16 Os16]'
_cell_volume [2576.6454]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.3065  1
  Ce  Ce1  24  0.0572  0.2500  0.7500  1
  Ce  Ce2  16  0.0989  0.0989  0.0989  1
  Hg  Hg3  16  0.1678  0.1678  0.3322  1
  Os  Os4  16  0.1117  0.3883  0.6117  1
]