data_[Pr4Cu2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  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 [5.4355]
_cell_length_b [5.7238]
_cell_length_c [9.3738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2CuNiO6]
_chemical_formula_sum '[Pr4 Cu2 Ni2 O12]'
_cell_volume [238.3512]
_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  0.2649  0.5632  0.7498  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1612  0.5167  0.2423  1.0
  O  O4  4  0.2558  0.1996  0.0437  1.0
  O  O5  4  0.3265  0.6965  0.0407  1.0
]