data_[Ce16Hg8H16]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.1805]
_cell_length_b [10.2919]
_cell_length_c [11.6884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Ce2HgH2]
_chemical_formula_sum '[Ce16 Hg8 H16]'
_cell_volume [743.4944]
_cell_formula_units_Z [8]
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  0.0000  0.1818  0.0000  1.0
  Hg  Hg1  8  0.0000  0.0000  0.5000  1.0
  H  H2  16  0.0000  0.0000  0.1164  1.0
]