data_[Ce4Co12Sb20]
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 [C2/m]
_cell_length_a [11.2737]
_cell_length_b [8.3118]
_cell_length_c [9.2209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCo3Sb5]
_chemical_formula_sum '[Ce4 Co12 Sb20]'
_cell_volume [804.8309]
_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  0.1067  0.0000  0.3078  1
  Co  Co1  4  0.1679  0.5000  0.1580  1
  Co  Co2  4  0.1773  0.5000  0.6602  1
  Co  Co3  2  0.0000  0.0000  0.0000  1
  Co  Co4  2  0.0000  0.0000  0.5000  1
  Sb  Sb5  8  0.1505  0.2029  0.6879  1
  Sb  Sb6  4  0.0000  0.2987  0.0000  1
  Sb  Sb7  4  0.0766  0.5000  0.3681  1
  Sb  Sb8  4  0.2344  0.0000  0.0395  1
]