data_[K10Si2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [9.2302]
_cell_length_b [9.9689]
_cell_length_c [7.3250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K5SiS4]
_chemical_formula_sum '[K10 Si2 S8]'
_cell_volume [674.0072]
_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  8  0.2386  0.3130  0.7325  1
  K  K1  2  0.0000  0.5000  0.1601  1
  Si  Si2  2  0.0000  0.0000  0.8146  1
  S  S3  4  0.0000  0.1780  0.9855  1
  S  S4  4  0.1925  0.0000  0.6436  1
]