data_[Tl2Zn2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1224]
_cell_length_b [7.3277]
_cell_length_c [9.1044]
_cell_angle_alpha [67.9085]
_cell_angle_beta [87.3265]
_cell_angle_gamma [81.8772]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlZnI3]
_chemical_formula_sum '[Tl2 Zn2 I6]'
_cell_volume [435.8507]
_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
[
  Tl  Tl0  1  0.3104  0.4071  0.0700  1
  Tl  Tl1  1  0.8139  0.1808  0.5432  1
  Zn  Zn2  1  0.2762  0.6614  0.4580  1
  Zn  Zn3  1  0.7734  0.8023  0.1582  1
  I  I4  1  0.1126  0.7224  0.6993  1
  I  I5  1  0.1267  0.8929  0.1721  1
  I  I6  1  0.2953  0.2911  0.4858  1
  I  I7  1  0.6036  0.0891  0.9177  1
  I  I8  1  0.6304  0.7619  0.4453  1
  I  I9  1  0.7925  0.4599  0.1268  1
]