data_[Y1Tl1Ge2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3084]
_cell_length_b [6.9376]
_cell_length_c [9.0737]
_cell_angle_alpha [85.9533]
_cell_angle_beta [89.7500]
_cell_angle_gamma [85.7179]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YTl(GeCl4)2]
_chemical_formula_sum '[Y1 Tl1 Ge2 Cl8]'
_cell_volume [395.0162]
_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  0.4613  0.4480  0.7673  1.0
  Cl  Cl3  2  0.2143  0.8150  0.7988  1.0
  Cl  Cl4  2  0.2379  0.3108  0.9631  1.0
  Cl  Cl5  2  0.2686  0.8620  0.2168  1.0
  Cl  Cl6  2  0.2749  0.3599  0.5697  1.0
]