data_[Ce6Hg1C1]
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 [P-1]
_cell_length_a [5.8640]
_cell_length_b [6.0454]
_cell_length_c [6.0834]
_cell_angle_alpha [96.4245]
_cell_angle_beta [105.1150]
_cell_angle_gamma [105.2427]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce6HgC]
_chemical_formula_sum '[Ce6 Hg1 C1]'
_cell_volume [197.0666]
_cell_formula_units_Z [1]
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  2  0.2449  0.7399  0.1214  1.0
  Ce  Ce1  2  0.2465  0.0743  0.7296  1.0
  Ce  Ce2  2  0.3736  0.3308  0.2812  1.0
  Hg  Hg3  1  0.0000  0.5000  0.5000  1.0
  C  C4  1  0.0000  0.0000  0.0000  1.0
]