data_[K12Ge8Te16]
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 [C2/c]
_cell_length_a [13.9075]
_cell_length_b [11.8630]
_cell_length_c [8.9844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3(GeTe2)2]
_chemical_formula_sum '[K12 Ge8 Te16]'
_cell_volume [1466.1434]
_cell_formula_units_Z [4]
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  8  0.1464  0.1261  0.6352  1.0
  K  K1  4  0.0000  0.3843  0.2500  1.0
  Ge  Ge2  8  0.1979  0.3785  0.9147  1.0
  Te  Te3  8  0.1106  0.1826  0.0180  1.0
  Te  Te4  8  0.1724  0.4436  0.6052  1.0
]