data_[Nb2Tl2O6]
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 [P2_1/m]
_cell_length_a [5.9408]
_cell_length_b [5.6614]
_cell_length_c [6.4810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbTlO3]
_chemical_formula_sum '[Nb2 Tl2 O6]'
_cell_volume [216.4573]
_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  0.4569  0.2500  0.9036  1.0
  Tl  Tl1  2  0.0342  0.2500  0.2904  1.0
  O  O2  4  0.3134  0.0074  0.0813  1.0
  O  O3  2  0.2929  0.2500  0.6528  1.0
]