data_[Sm4Fe2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [5.3762]
_cell_length_b [5.6515]
_cell_length_c [9.3711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2FeNiO6]
_chemical_formula_sum '[Sm4 Fe2 Ni2 O12]'
_cell_volume [233.9670]
_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
[
  Sm  Sm0  4  0.2670  0.5650  0.7505  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  0.1520  0.5266  0.2466  1.0
  O  O4  4  0.2492  0.2033  0.0510  1.0
  O  O5  4  0.3439  0.6965  0.0478  1.0
]