data_[Nb4Sn4O16]
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 [Cm]
_cell_length_a [13.3463]
_cell_length_b [3.9074]
_cell_length_c [6.3601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbSnO4]
_chemical_formula_sum '[Nb4 Sn4 O16]'
_cell_volume [331.3992]
_cell_formula_units_Z [4]
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  0.0825  0.0000  0.2169  1.0
  Nb  Nb1  2  0.4416  0.5000  0.7502  1.0
  Sn  Sn2  2  0.2252  0.0000  0.7140  1.0
  Sn  Sn3  2  0.2963  0.5000  0.2060  1.0
  O  O4  2  0.0342  0.0000  0.4953  1.0
  O  O5  2  0.0860  0.0000  0.8936  1.0
  O  O6  2  0.1255  0.5000  0.2349  1.0
  O  O7  2  0.2458  0.0000  0.2076  1.0
  O  O8  2  0.2833  0.5000  0.8818  1.0
  O  O9  2  0.3397  0.5000  0.5111  1.0
  O  O10  2  0.4279  0.0000  0.7813  1.0
  O  O11  2  0.4428  0.5000  0.1073  1.0
]