data_[Ba4Pr2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1059]
_cell_length_b [6.0917]
_cell_length_c [10.5648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2PrIrO6]
_chemical_formula_sum '[Ba4 Pr2 Ir2 O12]'
_cell_volume [320.4726]
_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
[
  Ba  Ba0  4  0.2500  0.0124  0.2494  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.2288  0.0043  0.7708  1.0
  O  O4  4  0.2728  0.7114  0.5212  1.0
  O  O5  4  0.3119  0.2488  0.0226  1.0
]