data_[Ca4Pd2Pb2O12]
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
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6054]
_cell_length_b [5.8278]
_cell_length_c [9.6955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2PdPbO6]
_chemical_formula_sum '[Ca4 Pd2 Pb2 O12]'
_cell_volume [261.7282]
_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  0.2272  0.0633  0.2485  1.0
  Pd  Pd1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1183  0.2106  0.9331  1.0
  O  O4  4  0.2275  0.6932  0.9354  1.0
  O  O5  4  0.3594  0.0514  0.7376  1.0
]