data_[Ce8Hg10C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4063]
_cell_length_b [3.8853]
_cell_length_c [7.9808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4Hg5C]
_chemical_formula_sum '[Ce8 Hg10 C2]'
_cell_volume [496.7231]
_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  0.0544  0.0000  0.8397  1.0
  Ce  Ce1  4  0.1291  0.5000  0.2143  1.0
  Hg  Hg2  4  0.1716  0.0000  0.5438  1.0
  Hg  Hg3  4  0.2167  0.5000  0.8582  1.0
  Hg  Hg4  2  0.0000  0.5000  0.5000  1.0
  C  C5  2  0.0000  0.5000  0.0000  1.0
]