data_[Al12Co80B24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4530]
_cell_length_b [10.4530]
_cell_length_c [10.4530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Al3(Co10B3)2]
_chemical_formula_sum '[Al12 Co80 B24]'
_cell_volume [1142.1505]
_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
[
  Al  Al0  8  0.2500  0.2500  0.2500  1
  Al  Al1  4  0.0000  0.0000  0.0000  1
  Co  Co2  48  0.0000  0.1702  0.1702  1
  Co  Co3  32  0.1175  0.1175  0.3825  1
  B  B4  24  0.0000  0.0000  0.2766  1
]