data_[Gd2Al8Zn2]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.7723]
_cell_length_b [4.4565]
_cell_length_c [7.6063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [GdAl4Zn]
_chemical_formula_sum '[Gd2 Al8 Zn2]'
_cell_volume [229.5674]
_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
[
  Gd  Gd0  2  0.2500  0.0000  0.6489  1
  Al  Al1  4  0.0538  0.5000  0.3190  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Al  Al3  2  0.2500  0.5000  0.9373  1
  Zn  Zn4  2  0.2500  0.0000  0.2667  1
]