data_[Al8Cr4Ga2]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9492]
_cell_length_b [6.7295]
_cell_length_c [6.7721]
_cell_angle_alpha [81.9745]
_cell_angle_beta [81.4825]
_cell_angle_gamma [74.1629]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Al4Cr2Ga]
_chemical_formula_sum '[Al8 Cr4 Ga2]'
_cell_volume [213.4237]
_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  1  0.0639  0.5610  0.6850  1
  Al  Al1  1  0.0986  0.7900  0.0158  1
  Al  Al2  1  0.2678  0.3755  0.0766  1
  Al  Al3  1  0.4969  0.7764  0.6085  1
  Al  Al4  1  0.5295  0.9377  0.2201  1
  Al  Al5  1  0.6400  0.3681  0.6199  1
  Al  Al6  1  0.7649  0.2724  0.2474  1
  Al  Al7  1  0.9963  0.9189  0.4332  1
  Cr  Cr8  1  0.2237  0.2243  0.4745  1
  Cr  Cr9  1  0.3739  0.5911  0.3320  1
  Cr  Cr10  1  0.6723  0.6133  0.9897  1
  Cr  Cr11  1  0.8904  0.5929  0.3356  1
  Ga  Ga12  1  0.5162  0.0329  0.8321  1
  Ga  Ga13  1  0.9656  0.1954  0.8798  1
]