data_[Nd4Sc2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  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 [5.4514]
_cell_length_b [5.6071]
_cell_length_c [9.6726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2ScNiO6]
_chemical_formula_sum '[Nd4 Sc2 Ni2 O12]'
_cell_volume [249.2592]
_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
[
  Nd  Nd0  4  0.2689  0.5542  0.7533  1.0
  Sc  Sc1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1490  0.5300  0.2469  1.0
  O  O4  4  0.2723  0.1979  0.0530  1.0
  O  O5  4  0.3547  0.7155  0.0512  1.0
]