data_[Ca2Ir2Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ir  2.2000  1.3500  0.7650
  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 [5.7801]
_cell_length_b [5.9244]
_cell_length_c [10.0648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaIr(PbO3)2]
_chemical_formula_sum '[Ca2 Ir2 Pb4 O12]'
_cell_volume [283.0207]
_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  1.0
  Ir  Ir1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  4  0.2633  0.5422  0.7529  1.0
  O  O3  4  0.1231  0.5418  0.2260  1.0
  O  O4  4  0.2304  0.2250  0.0568  1.0
  O  O5  4  0.3259  0.6813  0.0498  1.0
]