data_[Tl2Zn2Ag2I8]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0804]
_cell_length_b [8.9664]
_cell_length_c [9.5917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlZnAgI4]
_chemical_formula_sum '[Tl2 Zn2 Ag2 I8]'
_cell_volume [598.2232]
_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  0.1451  0.2500  0.0403  1.0
  Zn  Zn1  2  0.2300  0.7500  0.3008  1.0
  Ag  Ag2  2  0.2936  0.2500  0.6903  1.0
  I  I3  4  0.0172  0.0196  0.7290  1.0
  I  I4  2  0.3825  0.7500  0.0628  1.0
  I  I5  2  0.4937  0.7500  0.5296  1.0
]