data_[Al8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.2503]
_cell_length_b [7.8125]
_cell_length_c [8.1462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [AlGe]
_chemical_formula_sum '[Al8 Ge8]'
_cell_volume [397.7848]
_cell_formula_units_Z [8]
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  0.0952  0.9186  0.3098  1
  Al  Al1  4  0.2402  0.6282  0.0790  1
  Ge  Ge2  4  0.1378  0.9191  0.9764  1
  Ge  Ge3  4  0.1625  0.6049  0.3817  1
]