data_[Y1Tl1Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1868]
_cell_length_b [7.7201]
_cell_length_c [9.5694]
_cell_angle_alpha [85.7359]
_cell_angle_beta [87.4229]
_cell_angle_gamma [86.7416]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YTl(GeI4)2]
_chemical_formula_sum '[Y1 Tl1 Ge2 I8]'
_cell_volume [528.1681]
_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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.4623  0.4635  0.7456  1.0
  I  I3  2  0.2382  0.3236  0.9773  1.0
  I  I4  2  0.2460  0.8286  0.7798  1.0
  I  I5  2  0.2590  0.8432  0.2263  1.0
  I  I6  2  0.2749  0.3592  0.5287  1.0
]