data_[Ba4Cd2Si6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2835]
_cell_length_b [4.9787]
_cell_length_c [15.4007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ba2CdSi3]
_chemical_formula_sum '[Ba4 Cd2 Si6]'
_cell_volume [328.4410]
_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  0.1353  1
  Ba  Ba1  2  0.0000  0.5000  0.8681  1
  Cd  Cd2  2  0.0000  0.5000  0.4604  1
  Si  Si3  2  0.0000  0.0000  0.5484  1
  Si  Si4  2  0.0000  0.0000  0.7026  1
  Si  Si5  2  0.0000  0.5000  0.2852  1
]