data_[Ba2Na2Cd22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1205]
_cell_length_b [14.4518]
_cell_length_c [7.9145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNaCd11]
_chemical_formula_sum '[Ba2 Na2 Cd22]'
_cell_volume [648.6847]
_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  0.0000  1
  Na  Na1  2  0.0000  0.0000  0.5000  1
  Cd  Cd2  8  0.1056  0.3909  0.2186  1
  Cd  Cd3  8  0.1833  0.1795  0.3534  1
  Cd  Cd4  4  0.2500  0.2500  0.0000  1
  Cd  Cd5  2  0.0000  0.5000  0.5000  1
]