data_[Al24Cr8Ge4]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9529]
_cell_length_b [10.4594]
_cell_length_c [4.1097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al6Cr2Ge]
_chemical_formula_sum '[Al24 Cr8 Ge4]'
_cell_volume [582.3587]
_cell_formula_units_Z [4]
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  0.0728  0.0924  0.0889  1
  Al  Al1  8  0.1044  0.4036  0.2667  1
  Al  Al2  8  0.1980  0.1955  0.7031  1
  Cr  Cr3  8  0.2470  0.4465  0.7628  1
  Ge  Ge4  4  0.0000  0.2981  0.7500  1
]