data_[Ce4Co4Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [12.6280]
_cell_length_b [6.1540]
_cell_length_c [5.9913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [CeCoSb3]
_chemical_formula_sum '[Ce4 Co4 Sb12]'
_cell_volume [465.5933]
_cell_formula_units_Z [4]
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  4  0.3023  0.0009  0.2500  1
  Co  Co1  4  0.0940  0.7500  0.0000  1
  Sb  Sb2  4  0.0545  0.0924  0.2500  1
  Sb  Sb3  4  0.2208  0.5028  0.2500  1
  Sb  Sb4  4  0.4986  0.7500  0.0000  1
]