data_[Al10Ge2]
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 [Cmmm]
_cell_length_a [4.0527]
_cell_length_b [12.8021]
_cell_length_c [3.9214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Al5Ge]
_chemical_formula_sum '[Al10 Ge2]'
_cell_volume [203.4497]
_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  0.1685  0.5000  1.0
  Al  Al1  4  0.0000  0.3305  0.0000  1.0
  Al  Al2  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge3  2  0.0000  0.0000  0.0000  1.0
]