data_[Li6Ce6Co45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3758]
_cell_length_b [8.3758]
_cell_length_c [12.0415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2Ce2Co15]
_chemical_formula_sum '[Li6 Ce6 Co45]'
_cell_volume [731.5875]
_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
[
  Li  Li0  6  0.0000  0.0000  0.0960  1
  Ce  Ce1  6  0.0000  0.0000  0.3457  1
  Co  Co2  18  0.0000  0.2906  0.0000  1
  Co  Co3  18  0.0004  0.5002  0.1518  1
  Co  Co4  9  0.0000  0.5000  0.5000  1
]