data_[Ce3Co9Hg6F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5603]
_cell_length_b [7.5603]
_cell_length_c [19.9414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CeCo3Hg2F12]
_chemical_formula_sum '[Ce3 Co9 Hg6 F36]'
_cell_volume [987.1167]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Co  Co1  9  0.0000  0.5000  0.5000  1
  Hg  Hg2  6  0.0000  0.0000  0.4307  1
  F  F3  18  0.0635  0.5318  0.6027  1
  F  F4  18  0.0791  0.5395  0.8465  1
]