data_[Gd16Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.9334]
_cell_length_b [8.9334]
_cell_length_c [8.9334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Gd4Ge3]
_chemical_formula_sum '[Gd16 Ge12]'
_cell_volume [712.9397]
_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  16  0.0654  0.4346  0.5654  1
  Ge  Ge1  12  0.0000  0.2500  0.8750  1
]