data_[Zr4Nb2Tl2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [Cmmm]
_cell_length_a [6.9149]
_cell_length_b [7.0012]
_cell_length_c [6.6697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zr2NbTlO8]
_chemical_formula_sum '[Zr4 Nb2 Tl2 O16]'
_cell_volume [322.8972]
_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
[
  Zr  Zr0  4  0.0000  0.5000  0.2467  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0000  0.1984  0.2179  1.0
  O  O4  4  0.1855  0.5000  0.5000  1.0
  O  O5  4  0.2018  0.5000  0.0000  1.0
]