data_[Pr4Ni2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  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 [5.4767]
_cell_length_b [5.8432]
_cell_length_c [9.5649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2NiIrO6]
_chemical_formula_sum '[Pr4 Ni2 Ir2 O12]'
_cell_volume [251.3735]
_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
[
  Pr  Pr0  4  0.2311  0.0668  0.2507  1.0
  Ni  Ni1  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1393  0.2034  0.9499  1.0
  O  O4  4  0.2516  0.6988  0.9503  1.0
  O  O5  4  0.3449  0.0290  0.7476  1.0
]