data_[Ca2Pd2O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3548]
_cell_length_b [5.3677]
_cell_length_c [5.7062]
_cell_angle_alpha [89.1382]
_cell_angle_beta [62.0892]
_cell_angle_gamma [61.4031]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca2Pd2O5]
_chemical_formula_sum '[Ca2 Pd2 O5]'
_cell_volume [122.5498]
_cell_formula_units_Z [1]
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  1  0.2740  0.8528  0.6062  1
  Ca  Ca1  1  0.7363  0.1191  0.3907  1
  Pd  Pd2  1  0.3189  0.3559  0.0154  1
  Pd  Pd3  1  0.6727  0.6678  0.9776  1
  O  O4  1  0.1650  0.3038  0.7583  1
  O  O5  1  0.2362  0.0357  0.2316  1
  O  O6  1  0.4857  0.4596  0.2233  1
  O  O7  1  0.7613  0.9701  0.7711  1
  O  O8  1  0.8364  0.6911  0.2497  1
]