data_[Al56Cr2]
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 [9.9192]
_cell_length_b [9.9192]
_cell_length_c [9.9192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Al28Cr]
_chemical_formula_sum '[Al56 Cr2]'
_cell_volume [975.9508]
_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  24  0.0512  0.3617  0.6383  1
  Al  Al1  24  0.0937  0.0937  0.7156  1
  Al  Al2  8  0.1673  0.8327  0.8327  1
  Cr  Cr3  2  0.0000  0.0000  0.0000  1
]