data_[Gd4Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.7892]
_cell_length_b [11.1154]
_cell_length_c [7.3425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [GdCd3]
_chemical_formula_sum '[Gd4 Cd12]'
_cell_volume [390.8659]
_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  0.4119  0.7500  1
  Cd  Cd1  8  0.0000  0.1254  0.5516  1
  Cd  Cd2  4  0.0000  0.2929  0.2500  1
]