data_[Sc12Pd4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmmm]
_cell_length_a [8.5137]
_cell_length_b [11.8828]
_cell_length_c [3.3767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc3PdO]
_chemical_formula_sum '[Sc12 Pd4 O4]'
_cell_volume [341.6103]
_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
[
  Sc  Sc0  8  0.1891  0.1313  0.5000  1.0
  Sc  Sc1  4  0.0000  0.3115  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  2  0.0000  0.5000  0.5000  1.0
  O  O4  4  0.2500  0.2500  0.0000  1.0
]