data_[Gd4Al4Si12]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.9411]
_cell_length_b [7.2955]
_cell_length_c [8.7155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [GdAlSi3]
_chemical_formula_sum '[Gd4 Al4 Si12]'
_cell_volume [377.7602]
_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  4  0.0000  0.0000  0.6007  1
  Al  Al1  4  0.0000  0.0000  0.2358  1
  Si  Si2  8  0.2500  0.2500  0.3524  1
  Si  Si3  4  0.0000  0.0000  0.9516  1
]