data_[Sm2Nb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3076]
_cell_length_b [3.9177]
_cell_length_c [7.2767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmNb2O6]
_chemical_formula_sum '[Sm2 Nb4 O12]'
_cell_volume [260.7264]
_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  2  0.0000  0.0000  0.5000  1.0
  Nb  Nb1  4  0.1794  0.0000  0.1222  1.0
  O  O2  4  0.0229  0.0000  0.1920  1.0
  O  O3  4  0.1503  0.5000  0.6097  1.0
  O  O4  4  0.2166  0.5000  0.0873  1.0
]