data_[Y6Al2Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6118]
_cell_length_b [4.8028]
_cell_length_c [20.4103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Y3AlCd3]
_chemical_formula_sum '[Y6 Al2 Cd6]'
_cell_volume [354.0531]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0037  1
  Y  Y1  2  0.0000  0.5000  0.1955  1
  Y  Y2  2  0.0000  0.5000  0.8010  1
  Al  Al3  2  0.0000  0.0000  0.5675  1
  Cd  Cd4  2  0.0000  0.0000  0.4346  1
  Cd  Cd5  2  0.0000  0.5000  0.3562  1
  Cd  Cd6  2  0.0000  0.5000  0.6414  1
]