data_[Nb16Tl16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.8279]
_cell_length_b [10.8279]
_cell_length_c [10.8279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [NbTlO3]
_chemical_formula_sum '[Nb16 Tl16 O48]'
_cell_volume [1269.5015]
_cell_formula_units_Z [16]
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  16  0.1250  0.1250  0.6250  1.0
  Tl  Tl1  16  0.1250  0.1250  0.1250  1.0
  O  O2  48  0.0000  0.0000  0.3143  1.0
]