data_[Ba6Cd4Sn8]
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 [C2/m]
_cell_length_a [12.6680]
_cell_length_b [5.1065]
_cell_length_c [9.7791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(CdSn2)2]
_chemical_formula_sum '[Ba6 Cd4 Sn8]'
_cell_volume [616.7581]
_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  4  0.1225  0.5000  0.6936  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.1904  0.5000  0.3574  1.0
  Sn  Sn3  4  0.0851  0.0000  0.4115  1.0
  Sn  Sn4  4  0.2074  0.5000  0.0583  1.0
]