data_[Al10Cr48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [8.9410]
_cell_length_b [8.9410]
_cell_length_c [8.9410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Al5Cr24]
_chemical_formula_sum '[Al10 Cr48]'
_cell_volume [714.7571]
_cell_formula_units_Z [2]
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  0.1864  0.1864  0.1864  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Cr  Cr2  24  0.0233  0.3580  0.6420  1
  Cr  Cr3  24  0.0931  0.0931  0.7048  1
]