data_[La4Sc2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [5.5636]
_cell_length_b [5.5746]
_cell_length_c [9.8352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2ScNiO6]
_chemical_formula_sum '[La4 Sc2 Ni2 O12]'
_cell_volume [255.5562]
_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
[
  La  La0  4  0.2638  0.5356  0.7537  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  0.1570  0.5200  0.2459  1.0
  O  O4  4  0.2769  0.2087  0.0502  1.0
  O  O5  4  0.3404  0.7229  0.0464  1.0
]