data_[Sc4Pd8O16]
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 [Imma]
_cell_length_a [6.4866]
_cell_length_b [6.6370]
_cell_length_c [8.0830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Sc(PdO2)2]
_chemical_formula_sum '[Sc4 Pd8 O16]'
_cell_volume [347.9824]
_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  4  0.0000  0.0000  0.0000  1
  Pd  Pd1  4  0.0000  0.2500  0.6562  1
  Pd  Pd2  4  0.2500  0.2500  0.2500  1
  O  O3  8  0.0000  0.0445  0.2634  1
  O  O4  8  0.2082  0.2500  0.9937  1
]