data_[Al2Fe8Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7143]
_cell_length_b [4.0624]
_cell_length_c [5.1845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlFe4Ge]
_chemical_formula_sum '[Al2 Fe8 Ge2]'
_cell_volume [147.8621]
_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  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.1644  0.5000  0.4816  1.0
  Fe  Fe2  4  0.1689  0.5000  0.9898  1.0
  Ge  Ge3  2  0.0000  0.0000  0.5000  1.0
]