data_[Ba8Sc4Cd4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7811]
_cell_length_b [14.4084]
_cell_length_c [10.9064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ScCdO5]
_chemical_formula_sum '[Ba8 Sc4 Cd4 O20]'
_cell_volume [594.1726]
_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  0.0000  0.1131  0.6855  1.0
  Ba  Ba1  4  0.0000  0.1330  0.2963  1.0
  Sc  Sc2  4  0.0000  0.4667  0.4733  1.0
  Cd  Cd3  4  0.0000  0.2184  0.0092  1.0
  O  O4  4  0.0000  0.0481  0.0421  1.0
  O  O5  4  0.0000  0.2917  0.6408  1.0
  O  O6  4  0.0000  0.3239  0.3871  1.0
  O  O7  4  0.0000  0.3831  0.9962  1.0
  O  O8  4  0.0000  0.4944  0.2934  1.0
]