data_[K1Tm1Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  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 [7.2310]
_cell_length_b [7.7385]
_cell_length_c [9.6290]
_cell_angle_alpha [85.0306]
_cell_angle_beta [86.5975]
_cell_angle_gamma [85.3730]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KTm(GeI4)2]
_chemical_formula_sum '[K1 Tm1 Ge2 I8]'
_cell_volume [534.2962]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4535  0.4604  0.7448  1.0
  I  I3  2  0.2275  0.3183  0.9732  1.0
  I  I4  2  0.2471  0.8311  0.7820  1.0
  I  I5  2  0.2552  0.8432  0.2220  1.0
  I  I6  2  0.2776  0.3615  0.5261  1.0
]