data_[Al6Cr8]
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 [I4/mmm]
_cell_length_a [2.9927]
_cell_length_b [2.9927]
_cell_length_c [20.3067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Al3Cr4]
_chemical_formula_sum '[Al6 Cr8]'
_cell_volume [181.8682]
_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  4  0.0000  0.0000  0.2923  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  4  0.0000  0.0000  0.1351  1.0
  Cr  Cr3  4  0.0000  0.0000  0.4247  1.0
]