data_[Zr8Tl4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [5.9308]
_cell_length_b [6.1782]
_cell_length_c [8.5900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr4Tl2O]
_chemical_formula_sum '[Zr8 Tl4 O2]'
_cell_volume [301.0368]
_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  0.4210  0.5055  0.6795  1.0
  Zr  Zr1  2  0.0808  0.7500  0.3378  1.0
  Zr  Zr2  2  0.1989  0.7500  0.9615  1.0
  Tl  Tl3  2  0.1220  0.2500  0.3780  1.0
  Tl  Tl4  2  0.2795  0.2500  0.9878  1.0
  O  O5  2  0.3377  0.7500  0.2164  1.0
]