data_[Pr1Ir1Pb2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [5.0481]
_cell_length_b [6.9224]
_cell_length_c [5.0489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrIr(PbO4)2]
_chemical_formula_sum '[Pr1 Ir1 Pb2 O8]'
_cell_volume [176.4007]
_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
[
  Pr  Pr0  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  0.2433  0.5000  1.0
  O  O3  4  0.2031  0.2113  0.1723  1.0
  O  O4  2  0.2534  0.0000  0.7121  1.0
  O  O5  2  0.2990  0.5000  0.6603  1.0
]