data_[K2Sn2Ge2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1408]
_cell_length_b [4.9510]
_cell_length_c [10.1558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSnGeTe3]
_chemical_formula_sum '[K2 Sn2 Ge2 Te6]'
_cell_volume [443.2044]
_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  0.2370  0.2500  0.2502  1.0
  Sn  Sn1  2  0.3257  0.7500  0.8942  1.0
  Ge  Ge2  2  0.1024  0.2500  0.6212  1.0
  Te  Te3  2  0.0635  0.2500  0.8693  1.0
  Te  Te4  2  0.1961  0.7500  0.5492  1.0
  Te  Te5  2  0.5000  0.7500  0.1920  1.0
]