data_[Tl6Zn4I2]
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 [Pm]
_cell_length_a [6.8464]
_cell_length_b [22.1859]
_cell_length_c [8.2889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl3Zn2I]
_chemical_formula_sum '[Tl6 Zn4 I2]'
_cell_volume [1245.6667]
_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  2  0.8609  0.3620  0.4530  1
  Tl  Tl1  2  0.9836  0.3381  0.8526  1
  Tl  Tl2  1  0.1479  0.5000  0.3558  1
  Tl  Tl3  1  0.9075  0.5000  0.8987  1
  Zn  Zn4  2  0.1393  0.4375  0.6655  1
  Zn  Zn5  2  0.9450  0.4080  0.1454  1
  I  I6  1  0.4271  0.5000  0.9115  1
  I  I7  1  0.6600  0.5000  0.4189  1
]