data_[Tl4Zn4I14]
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 [C2/m]
_cell_length_a [10.8643]
_cell_length_b [13.4638]
_cell_length_c [7.2090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Zn2I7]
_chemical_formula_sum '[Tl4 Zn4 I14]'
_cell_volume [1038.9988]
_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  4  0.0000  0.2999  0.0000  1.0
  Zn  Zn1  4  0.2346  0.0000  0.4167  1.0
  I  I2  8  0.2492  0.1659  0.2296  1.0
  I  I3  4  0.1090  0.5000  0.2624  1.0
  I  I4  2  0.0000  0.0000  0.5000  1.0
]