data_[K2Yb2Si2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Yb  1.1000  1.7500  1.0840
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9072]
_cell_length_b [5.6579]
_cell_length_c [9.1662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KYbSiS4]
_chemical_formula_sum '[K2 Yb2 Si2 S8]'
_cell_volume [347.0983]
_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  0.2599  0.2500  0.0421  1.0
  Yb  Yb1  2  0.2528  0.2500  0.5561  1.0
  Si  Si2  2  0.2465  0.7500  0.3266  1.0
  S  S3  4  0.0068  0.0094  0.2797  1.0
  S  S4  2  0.3902  0.7500  0.5567  1.0
  S  S5  2  0.4320  0.7500  0.1779  1.0
]