data_[Zr2Tl2I4O16]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4640]
_cell_length_b [6.8654]
_cell_length_c [7.2953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrTl(IO4)2]
_chemical_formula_sum '[Zr2 Tl2 I4 O16]'
_cell_volume [373.6661]
_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  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  I  I2  4  0.0354  0.5000  0.7595  1.0
  O  O3  8  0.0324  0.2038  0.7867  1.0
  O  O4  4  0.1801  0.5000  0.5598  1.0
  O  O5  4  0.2077  0.5000  0.9516  1.0
]