data_[K2Y2Si2S8]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.4434]
_cell_length_b [6.6551]
_cell_length_c [8.7163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KYSiS4]
_chemical_formula_sum '[K2 Y2 Si2 S8]'
_cell_volume [356.9910]
_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  0.2727  0.5230  0.0664  1.0
  Y  Y1  2  0.2291  0.5000  0.5490  1.0
  Si  Si2  2  0.2228  0.0375  0.3273  1.0
  S  S3  2  0.0183  0.7684  0.7198  1.0
  S  S4  2  0.0264  0.7725  0.3014  1.0
  S  S5  2  0.4211  0.0952  0.5665  1.0
  S  S6  2  0.4212  0.0364  0.1734  1.0
]