data_[Sm4Ti2Mn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4690]
_cell_length_b [5.7827]
_cell_length_c [9.5804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2TiMnO6]
_chemical_formula_sum '[Sm4 Ti2 Mn2 O12]'
_cell_volume [249.6574]
_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  0.5648  0.7521  1.0
  Ti  Ti1  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1243  0.5436  0.2374  1.0
  O  O4  4  0.2438  0.2109  0.0632  1.0
  O  O5  4  0.3468  0.6842  0.0541  1.0
]