data_[K1Y1Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  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 [7.2529]
_cell_length_b [7.7515]
_cell_length_c [9.6349]
_cell_angle_alpha [85.2284]
_cell_angle_beta [86.4856]
_cell_angle_gamma [85.5222]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KY(GeI4)2]
_chemical_formula_sum '[K1 Y1 Ge2 I8]'
_cell_volume [537.3417]
_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
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4539  0.4616  0.7441  1.0
  I  I3  2  0.2310  0.3213  0.9741  1.0
  I  I4  2  0.2490  0.8297  0.7788  1.0
  I  I5  2  0.2567  0.8421  0.2235  1.0
  I  I6  2  0.2768  0.3621  0.5268  1.0
]