data_[Ba2Al1Cd4In3]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.9551]
_cell_length_b [4.9551]
_cell_length_c [11.9666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2AlCd4In3]
_chemical_formula_sum '[Ba2 Al1 Cd4 In3]'
_cell_volume [293.8162]
_cell_formula_units_Z [1]
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  0.5000  0.7465  1.0
  Al  Al1  1  0.5000  0.5000  0.5000  1.0
  Cd  Cd2  2  0.0000  0.5000  0.3732  1.0
  Cd  Cd3  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd4  1  0.5000  0.5000  0.0000  1.0
  In  In5  2  0.0000  0.5000  0.1354  1.0
  In  In6  1  0.0000  0.0000  0.5000  1.0
]