data_[Al11Cr4]
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 [P-1]
_cell_length_a [5.0937]
_cell_length_b [5.1389]
_cell_length_c [8.9661]
_cell_angle_alpha [74.3147]
_cell_angle_beta [89.7511]
_cell_angle_gamma [79.5618]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al11Cr4]
_chemical_formula_sum '[Al11 Cr4]'
_cell_volume [221.9707]
_cell_formula_units_Z [1]
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  2  0.0573  0.8229  0.3174  1
  Al  Al1  2  0.1480  0.5341  0.8741  1
  Al  Al2  2  0.1919  0.2716  0.3672  1
  Al  Al3  2  0.4242  0.3294  0.6264  1
  Al  Al4  2  0.4902  0.1001  0.1245  1
  Al  Al5  1  0.0000  0.0000  0.0000  1
  Cr  Cr6  2  0.2945  0.8550  0.5990  1
  Cr  Cr7  2  0.3443  0.6020  0.1326  1
]