data_[Tl2Zn1I5]
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 [6.7391]
_cell_length_b [7.5964]
_cell_length_c [8.3112]
_cell_angle_alpha [109.9361]
_cell_angle_beta [94.4189]
_cell_angle_gamma [113.2662]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2ZnI5]
_chemical_formula_sum '[Tl2 Zn1 I5]'
_cell_volume [356.2380]
_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
[
  Tl  Tl0  1  0.3645  0.5551  0.8794  1.0
  Tl  Tl1  1  0.8935  0.5975  0.3720  1.0
  Zn  Zn2  1  0.9415  0.0574  0.0620  1.0
  I  I3  1  0.2905  0.4229  0.2399  1.0
  I  I4  1  0.3361  0.0345  0.7144  1.0
  I  I5  1  0.6308  0.0528  0.2315  1.0
  I  I6  1  0.8344  0.0395  0.7312  1.0
  I  I7  1  0.9318  0.6864  0.9926  1.0
]