data_[Sm2Mn1Fe1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4242]
_cell_length_b [5.4302]
_cell_length_c [5.5521]
_cell_angle_alpha [119.0818]
_cell_angle_beta [91.1160]
_cell_angle_gamma [118.2793]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm2MnFeO6]
_chemical_formula_sum '[Sm2 Mn1 Fe1 O6]'
_cell_volume [119.0498]
_cell_formula_units_Z [1]
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  2  0.2469  0.5012  0.7683  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  1  0.5000  0.0000  0.5000  1.0
  O  O3  2  0.1802  0.8784  0.1874  1.0
  O  O4  2  0.2269  0.4714  0.3376  1.0
  O  O5  2  0.3092  0.1190  0.8298  1.0
]