data_[K4Ge2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2247]
_cell_length_b [7.9459]
_cell_length_c [9.5951]
_cell_angle_alpha [75.9758]
_cell_angle_beta [75.7972]
_cell_angle_gamma [68.2521]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2GeTe3]
_chemical_formula_sum '[K4 Ge2 Te6]'
_cell_volume [488.9197]
_cell_formula_units_Z [2]
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  2  0.1459  0.4808  0.6699  1.0
  K  K1  2  0.3562  0.8006  0.9144  1.0
  Ge  Ge2  2  0.1463  0.9435  0.3203  1.0
  Te  Te3  2  0.1461  0.1960  0.0938  1.0
  Te  Te4  2  0.2311  0.0366  0.5468  1.0
  Te  Te5  2  0.3371  0.6062  0.2898  1.0
]