data_[Gd8Al4Ge24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3861]
_cell_length_b [8.6480]
_cell_length_c [10.5772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Gd2AlGe6]
_chemical_formula_sum '[Gd8 Al4 Ge24]'
_cell_volume [751.3462]
_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
[
  Gd  Gd0  8  0.0861  0.2481  0.3385  1.0
  Al  Al1  4  0.2000  0.0000  0.8026  1.0
  Ge  Ge2  8  0.2200  0.2855  0.8826  1.0
  Ge  Ge3  4  0.0094  0.5000  0.8823  1.0
  Ge  Ge4  4  0.0692  0.0000  0.1174  1.0
  Ge  Ge5  4  0.1387  0.5000  0.5851  1.0
  Ge  Ge6  4  0.1471  0.0000  0.5607  1.0
]