data_[Ba6Cd6Sb6]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3484]
_cell_length_b [4.9137]
_cell_length_c [15.3167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCdSb]
_chemical_formula_sum '[Ba6 Cd6 Sb6]'
_cell_volume [623.4219]
_cell_formula_units_Z [6]
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  0.0696  0.7500  0.7097  1
  Ba  Ba1  2  0.3443  0.2500  0.0986  1
  Ba  Ba2  2  0.4613  0.2500  0.3767  1
  Cd  Cd3  2  0.0074  0.2500  0.9106  1
  Cd  Cd4  2  0.1370  0.7500  0.4477  1
  Cd  Cd5  2  0.3802  0.2500  0.7792  1
  Sb  Sb6  2  0.2105  0.7500  0.9381  1
  Sb  Sb7  2  0.2188  0.7500  0.2564  1
  Sb  Sb8  2  0.2278  0.2500  0.5542  1
]