data_[Ta2Nb1Tl1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [P-3m1]
_cell_length_a [5.9213]
_cell_length_b [5.9213]
_cell_length_c [7.6389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ta2NbTlO8]
_chemical_formula_sum '[Ta2 Nb1 Tl1 O8]'
_cell_volume [231.9531]
_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
[
  Ta  Ta0  2  0.3333  0.6667  0.2663  1.0
  Nb  Nb1  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  O  O3  6  0.1580  0.3159  0.3459  1.0
  O  O4  2  0.3333  0.6667  0.0329  1.0
]