data_[Nb24Cl48O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [16.6455]
_cell_length_b [16.6455]
_cell_length_c [16.6455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Nb3(Cl3O4)2]
_chemical_formula_sum '[Nb24 Cl48 O64]'
_cell_volume [4611.9998]
_cell_formula_units_Z [8]
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  24  0.0000  0.0000  0.1371  1
  Cl  Cl1  48  0.0000  0.2078  0.2078  1
  O  O2  32  0.0795  0.0795  0.9205  1
  O  O3  24  0.0000  0.0000  0.2412  1
  O  O4  8  0.2500  0.2500  0.2500  1
]