data_[Ce20Hg8Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.2443]
_cell_length_b [7.7442]
_cell_length_c [7.8299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce5(HgGe)2]
_chemical_formula_sum '[Ce20 Hg8 Ge8]'
_cell_volume [984.9910]
_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
[
  Ce  Ce0  16  0.1269  0.1877  0.3230  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.2198  0.0000  0.0000  1.0
  Ge  Ge3  8  0.0000  0.1180  0.6218  1.0
]