data_[K2Y2Ge2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  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 [8.6358]
_cell_length_b [4.0558]
_cell_length_c [11.0785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KYGeSe3]
_chemical_formula_sum '[K2 Y2 Ge2 Se6]'
_cell_volume [367.8638]
_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  0.2343  0.2500  0.2766  1.0
  Y  Y1  2  0.3613  0.7500  0.8444  1.0
  Ge  Ge2  2  0.1282  0.2500  0.5594  1.0
  Se  Se3  2  0.1066  0.2500  0.7780  1.0
  Se  Se4  2  0.3328  0.7500  0.5756  1.0
  Se  Se5  2  0.3949  0.7500  0.1085  1.0
]