data_[K2Ge2Sb2Se6]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6192]
_cell_length_b [4.0424]
_cell_length_c [11.2336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KGeSbSe3]
_chemical_formula_sum '[K2 Ge2 Sb2 Se6]'
_cell_volume [369.1427]
_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  0.2417  0.2500  0.2874  1.0
  Ge  Ge1  2  0.1250  0.2500  0.5587  1.0
  Sb  Sb2  2  0.3629  0.7500  0.8454  1.0
  Se  Se3  2  0.1015  0.2500  0.7736  1.0
  Se  Se4  2  0.3351  0.7500  0.5790  1.0
  Se  Se5  2  0.3891  0.7500  0.1052  1.0
]