data_[Ce8Hg10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9643]
_cell_length_b [5.2040]
_cell_length_c [9.5755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4Hg5]
_chemical_formula_sum '[Ce8 Hg10]'
_cell_volume [465.0245]
_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  4  0.0278  0.0000  0.6633  1
  Ce  Ce1  4  0.1808  0.5000  0.2267  1
  Hg  Hg2  4  0.1685  0.5000  0.5579  1
  Hg  Hg3  4  0.1741  0.5000  0.8902  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
]