data_[K2Y2Ge2Se8]
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 [6.7897]
_cell_length_b [7.0544]
_cell_length_c [9.1527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KYGeSe4]
_chemical_formula_sum '[K2 Y2 Ge2 Se8]'
_cell_volume [418.0228]
_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  0.2466  0.2500  0.0586  1.0
  Y  Y1  2  0.2273  0.2500  0.5525  1.0
  Ge  Ge2  2  0.2266  0.7500  0.3288  1.0
  Se  Se3  4  0.0113  0.5088  0.7107  1.0
  Se  Se4  2  0.4316  0.7500  0.1629  1.0
  Se  Se5  2  0.4411  0.7500  0.5853  1.0
]