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 [C2/m]
_cell_length_a [9.7970]
_cell_length_b [5.4969]
_cell_length_c [5.6851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2NiIrO6]
_chemical_formula_sum '[Pr4 Ni2 Ir2 O12]'
_cell_volume [250.3476]
_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  0.2492  0.0000  0.7344  1.0
  Ni  Ni1  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0593  0.2470  0.3094  1.0
  O  O4  4  0.2464  0.0000  0.1478  1.0
]