data_[K4Ge2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9449]
_cell_length_b [7.6023]
_cell_length_c [8.8144]
_cell_angle_alpha [75.9187]
_cell_angle_beta [73.2033]
_cell_angle_gamma [66.7559]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2GeSe3]
_chemical_formula_sum '[K4 Ge2 Se6]'
_cell_volume [404.9173]
_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  0.1543  0.4647  0.6780  1.0
  K  K1  2  0.3872  0.7994  0.8932  1.0
  Ge  Ge2  2  0.1388  0.9417  0.3181  1.0
  Se  Se3  2  0.1331  0.1811  0.0941  1.0
  Se  Se4  2  0.2256  0.0350  0.5348  1.0
  Se  Se5  2  0.3341  0.6188  0.2834  1.0
]