data_[Ba2Al4Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.9035]
_cell_length_b [5.6973]
_cell_length_c [7.7705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaAl2Cd]
_chemical_formula_sum '[Ba2 Al4 Cd2]'
_cell_volume [217.0820]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5084  1
  Al  Al1  2  0.0000  0.0000  0.9797  1
  Al  Al2  2  0.0000  0.5000  0.2903  1
  Cd  Cd3  2  0.0000  0.5000  0.7216  1
]