data_[Ca4Sc2Pd2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P2_1/c]
_cell_length_a [5.5069]
_cell_length_b [5.6783]
_cell_length_c [9.5628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2ScPdO6]
_chemical_formula_sum '[Ca4 Sc2 Pd2 O12]'
_cell_volume [245.6486]
_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
[
  Ca  Ca0  4  0.2355  0.0566  0.2498  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1395  0.2068  0.9477  1.0
  O  O4  4  0.2434  0.6977  0.9483  1.0
  O  O5  4  0.3436  0.0326  0.7443  1.0
]