data_[Sm4Fe2Cu2O12]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3800]
_cell_length_b [5.6355]
_cell_length_c [9.3609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2FeCuO6]
_chemical_formula_sum '[Sm4 Fe2 Cu2 O12]'
_cell_volume [233.0430]
_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  0.2668  0.5647  0.7502  1.0
  Fe  Fe1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1532  0.5285  0.2493  1.0
  O  O4  4  0.2495  0.2036  0.0510  1.0
  O  O5  4  0.3480  0.6996  0.0496  1.0
]