data_[Gd6Al3Fe9]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2611]
_cell_length_b [5.2611]
_cell_length_c [12.7624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Gd2AlFe3]
_chemical_formula_sum '[Gd6 Al3 Fe9]'
_cell_volume [305.9235]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3774  1.0
  Al  Al1  3  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  9  0.0000  0.5000  0.5000  1.0
]