data_[Ba4Cd12Sn8]
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 [18.7515]
_cell_length_b [5.0409]
_cell_length_c [8.4056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCd3Sn2]
_chemical_formula_sum '[Ba4 Cd12 Sn8]'
_cell_volume [717.8932]
_cell_formula_units_Z [4]
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  0.1427  0.0000  0.0807  1.0
  Cd  Cd1  4  0.0430  0.0000  0.3918  1.0
  Cd  Cd2  4  0.1297  0.5000  0.7559  1.0
  Cd  Cd3  4  0.1836  0.5000  0.4547  1.0
  Sn  Sn4  4  0.0135  0.5000  0.1850  1.0
  Sn  Sn5  4  0.2021  0.0000  0.7035  1.0
]