data_[Ce18Co6S36]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.7873]
_cell_length_b [11.7873]
_cell_length_c [11.2948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce3CoS6]
_chemical_formula_sum '[Ce18 Co6 S36]'
_cell_volume [1359.0673]
_cell_formula_units_Z [6]
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  18  0.0534  0.2767  0.6595  1.0
  Co  Co1  3  0.0000  0.0000  0.0000  1.0
  Co  Co2  3  0.0000  0.0000  0.5000  1.0
  S  S3  18  0.0347  0.2049  0.3998  1.0
  S  S4  18  0.0480  0.1917  0.8914  1.0
]