data_[Sm4Cu2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [5.3231]
_cell_length_b [5.7911]
_cell_length_c [9.1922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2CuNiO6]
_chemical_formula_sum '[Sm4 Cu2 Ni2 O12]'
_cell_volume [231.8986]
_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  0.2702  0.5788  0.7499  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  0.1458  0.5257  0.2420  1.0
  O  O4  4  0.2501  0.1911  0.0499  1.0
  O  O5  4  0.3408  0.6862  0.0454  1.0
]