data_[K2Sn2Ge2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0495]
_cell_length_b [4.6829]
_cell_length_c [9.9273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSnGeSe3]
_chemical_formula_sum '[K2 Sn2 Ge2 Se6]'
_cell_volume [414.8648]
_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  0.1525  0.2500  0.1874  1.0
  Sn  Sn1  2  0.3850  0.7500  0.8552  1.0
  Ge  Ge2  2  0.1068  0.2500  0.5928  1.0
  Se  Se3  2  0.1316  0.2500  0.8337  1.0
  Se  Se4  2  0.1725  0.7500  0.5107  1.0
  Se  Se5  2  0.4028  0.7500  0.1286  1.0
]