data_[Ba8Cd36Sn12]
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 [Cmcm]
_cell_length_a [16.0871]
_cell_length_b [9.1551]
_cell_length_c [10.4543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba2(Cd3Sn)3]
_chemical_formula_sum '[Ba8 Cd36 Sn12]'
_cell_volume [1539.7000]
_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  8  0.1594  0.1642  0.2500  1
  Cd  Cd1  16  0.1593  0.1832  0.5983  1
  Cd  Cd2  8  0.0000  0.3395  0.0540  1
  Cd  Cd3  8  0.0928  0.4566  0.7500  1
  Cd  Cd4  4  0.0000  0.1633  0.7500  1
  Sn  Sn5  8  0.1913  0.5000  0.0000  1
  Sn  Sn6  4  0.0000  0.0000  0.0000  1
]