data_[Sm2Fe1Ge1O6]
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
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4318]
_cell_length_b [5.4426]
_cell_length_c [5.5437]
_cell_angle_alpha [91.9261]
_cell_angle_beta [118.6442]
_cell_angle_gamma [117.8328]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm2FeGeO6]
_chemical_formula_sum '[Sm2 Fe1 Ge1 O6]'
_cell_volume [119.9910]
_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  0.0022  0.7420  0.7689  1.0
  Fe  Fe1  1  0.5000  0.0000  0.5000  1.0
  Ge  Ge2  1  0.5000  0.5000  0.0000  1.0
  O  O3  2  0.0393  0.2863  0.6650  1.0
  O  O4  2  0.3774  0.1903  0.1600  1.0
  O  O5  2  0.3800  0.6773  0.1887  1.0
]