data_[Y4Fe2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  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 [5.2869]
_cell_length_b [5.6538]
_cell_length_c [9.2253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y2FeNiO6]
_chemical_formula_sum '[Y4 Fe2 Ni2 O12]'
_cell_volume [227.1707]
_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
[
  Y  Y0  4  0.2708  0.5737  0.7509  1.0
  Fe  Fe1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1385  0.5358  0.2469  1.0
  O  O4  4  0.2477  0.1978  0.0572  1.0
  O  O5  4  0.3560  0.6899  0.0529  1.0
]