data_[Ba2Cd6Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.8406]
_cell_length_b [4.8406]
_cell_length_c [12.7274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [BaCd3Sn]
_chemical_formula_sum '[Ba2 Cd6 Sn2]'
_cell_volume [298.2246]
_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  0.1051  1.0
  Cd  Cd1  4  0.0000  0.5000  0.3568  1.0
  Cd  Cd2  2  0.0000  0.0000  0.7222  1.0
  Sn  Sn3  2  0.0000  0.0000  0.4965  1.0
]