data_[Ho1Tl1Ge2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [6.3061]
_cell_length_b [6.9440]
_cell_length_c [9.0732]
_cell_angle_alpha [93.8147]
_cell_angle_beta [90.2212]
_cell_angle_gamma [94.4705]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HoTl(GeCl4)2]
_chemical_formula_sum '[Ho1 Tl1 Ge2 Cl8]'
_cell_volume [395.2093]
_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
[
  Ho  Ho0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.4600  0.5550  0.7700  1.0
  Cl  Cl3  2  0.2131  0.1853  0.8010  1.0
  Cl  Cl4  2  0.2339  0.6917  0.9626  1.0
  Cl  Cl5  2  0.2696  0.1354  0.2158  1.0
  Cl  Cl6  2  0.2753  0.6405  0.5698  1.0
]