data_[K1La1Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  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 [7.3346]
_cell_length_b [7.7980]
_cell_length_c [9.6665]
_cell_angle_alpha [85.8228]
_cell_angle_beta [86.2123]
_cell_angle_gamma [86.6675]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLa(GeI4)2]
_chemical_formula_sum '[K1 La1 Ge2 I8]'
_cell_volume [549.4126]
_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
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4637  0.4712  0.7395  1.0
  I  I3  2  0.2454  0.3331  0.9758  1.0
  I  I4  2  0.2591  0.8270  0.7674  1.0
  I  I5  2  0.2618  0.8363  0.2287  1.0
  I  I6  2  0.2747  0.3665  0.5293  1.0
]