data_[Nb2Sn2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2217]
_cell_length_b [5.2212]
_cell_length_c [7.9750]
_cell_angle_alpha [73.2868]
_cell_angle_beta [71.4272]
_cell_angle_gamma [61.0364]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NbSnO3]
_chemical_formula_sum '[Nb2 Sn2 O6]'
_cell_volume [177.9780]
_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
[
  Nb  Nb0  2  0.3506  0.3507  0.0004  1.0
  Sn  Sn1  2  0.0874  0.1080  0.6858  1.0
  O  O2  2  0.0371  0.4055  0.8485  1.0
  O  O3  2  0.3118  0.9420  0.1519  1.0
  O  O4  2  0.3878  0.7190  0.8283  1.0
]