data_[Ca1Ir1Pb2O8]
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/m]
_cell_length_a [4.9581]
_cell_length_b [6.8387]
_cell_length_c [5.0249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaIr(PbO4)2]
_chemical_formula_sum '[Ca1 Ir1 Pb2 O8]'
_cell_volume [170.3620]
_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  0.0000  0.5000  0.0000  1.0
  Ir  Ir1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2506  0.5000  1.0
  O  O3  4  0.2006  0.2091  0.1708  1.0
  O  O4  2  0.2584  0.0000  0.7091  1.0
  O  O5  2  0.2947  0.5000  0.6720  1.0
]