data_[Al18Co12]
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 [P4_2/mnm]
_cell_length_a [8.8128]
_cell_length_b [8.8128]
_cell_length_c [4.8977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Al3Co2]
_chemical_formula_sum '[Al18 Co12]'
_cell_volume [380.3880]
_cell_formula_units_Z [6]
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  0.0363  0.3613  0.0000  1
  Al  Al1  8  0.1911  0.8089  0.2493  1
  Al  Al2  2  0.0000  0.0000  0.5000  1
  Co  Co3  8  0.0594  0.2626  0.5000  1
  Co  Co4  4  0.0952  0.0952  0.0000  1
]