data_[Al28Co12]
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
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.3693]
_cell_length_b [8.3693]
_cell_length_c [8.3693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Al7Co3]
_chemical_formula_sum '[Al28 Co12]'
_cell_volume [586.2358]
_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  16  0.1571  0.1571  0.1571  1
  Al  Al1  12  0.0000  0.2500  0.5000  1
  Co  Co2  12  0.0000  0.0000  0.3507  1
]