data_[Ba8Sc4Pd4O20]
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
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7367]
_cell_length_b [14.7719]
_cell_length_c [10.6495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ScPdO5]
_chemical_formula_sum '[Ba8 Sc4 Pd4 O20]'
_cell_volume [587.8277]
_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  0.1209  0.6840  1
  Ba  Ba1  4  0.0000  0.1281  0.3073  1
  Sc  Sc2  4  0.0000  0.4265  0.4645  1
  Pd  Pd3  4  0.0000  0.2119  0.0173  1
  O  O4  4  0.0000  0.0649  0.0410  1
  O  O5  4  0.0000  0.2970  0.6243  1
  O  O6  4  0.0000  0.3048  0.3773  1
  O  O7  4  0.0000  0.3478  0.0022  1
  O  O8  4  0.0000  0.4927  0.3060  1
]