data_[Ce16Hg4C6]
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 [15.6416]
_cell_length_b [6.9382]
_cell_length_c [6.2146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8Hg2C3]
_chemical_formula_sum '[Ce16 Hg4 C6]'
_cell_volume [658.4838]
_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  8  0.0832  0.2607  0.3802  1.0
  Ce  Ce1  4  0.0978  0.0000  0.8892  1.0
  Ce  Ce2  4  0.1063  0.5000  0.9593  1.0
  Hg  Hg3  4  0.2493  0.0000  0.3520  1.0
  C  C4  4  0.0000  0.2471  0.0000  1.0
  C  C5  2  0.0000  0.0000  0.5000  1.0
]