data_[Ca2Ac4Pd2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  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 [5.8521]
_cell_length_b [6.0198]
_cell_length_c [10.1457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaAc2PdO6]
_chemical_formula_sum '[Ca2 Ac4 Pd2 O12]'
_cell_volume [293.7406]
_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  2  0.5000  0.0000  0.0000  1
  Ac  Ac1  4  0.2378  0.5506  0.7503  1
  Pd  Pd2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1366  0.7205  0.4478  1
  O  O4  4  0.2336  0.1932  0.4528  1
  O  O5  4  0.3275  0.5316  0.2350  1
]