data_[Sm4Fe4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7266]
_cell_length_b [4.0628]
_cell_length_c [7.3083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmFeO3]
_chemical_formula_sum '[Sm4 Fe4 O12]'
_cell_volume [297.1719]
_cell_formula_units_Z [4]
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  0.1060  0.0000  0.8081  1
  Fe  Fe1  4  0.1791  0.5000  0.5331  1
  O  O2  4  0.0064  0.5000  0.2833  1
  O  O3  4  0.1731  0.0000  0.5326  1
  O  O4  4  0.2468  0.0000  0.1575  1
]