data_[Pr4In2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5358]
_cell_length_b [5.7725]
_cell_length_c [9.7178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2InNiO6]
_chemical_formula_sum '[Pr4 In2 Ni2 O12]'
_cell_volume [262.1248]
_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  0.2714  0.5590  0.7530  1.0
  In  In1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1489  0.5349  0.2530  1.0
  O  O4  4  0.2734  0.1904  0.0552  1.0
  O  O5  4  0.3666  0.7140  0.0562  1.0
]