data_[Cs2Nb2O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4128]
_cell_length_b [5.4149]
_cell_length_c [7.2736]
_cell_angle_alpha [68.6100]
_cell_angle_beta [68.8567]
_cell_angle_gamma [63.8544]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cs2Nb2O5]
_chemical_formula_sum '[Cs2 Nb2 O5]'
_cell_volume [173.0157]
_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
[
  Cs  Cs0  1  0.3580  0.3685  0.8864  1
  Cs  Cs1  1  0.6322  0.6304  0.1158  1
  Nb  Nb2  1  0.1685  0.1604  0.5228  1
  Nb  Nb3  1  0.8386  0.8397  0.4725  1
  O  O4  1  0.0260  0.1107  0.3169  1
  O  O5  1  0.0910  0.5707  0.3114  1
  O  O6  1  0.4457  0.9367  0.6914  1
  O  O7  1  0.5499  0.0534  0.3110  1
  O  O8  1  0.9179  0.4302  0.6881  1
]