data_[K4Sn8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.2599]
_cell_length_b [7.7045]
_cell_length_c [9.2854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K(SnS2)2]
_chemical_formula_sum '[K4 Sn8 S16]'
_cell_volume [818.6748]
_cell_formula_units_Z [4]
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  0.2733  0.0000  0.8076  1.0
  K  K1  2  0.4785  0.5000  0.9620  1.0
  Sn  Sn2  4  0.3676  0.2547  0.3713  1.0
  Sn  Sn3  2  0.0909  0.5000  0.7666  1.0
  Sn  Sn4  2  0.1252  0.5000  0.3725  1.0
  S  S5  4  0.0988  0.2697  0.5663  1.0
  S  S6  4  0.1482  0.2631  0.2106  1.0
  S  S7  2  0.3567  0.5000  0.5688  1.0
  S  S8  2  0.3668  0.0000  0.5633  1.0
  S  S9  2  0.3921  0.0000  0.1992  1.0
  S  S10  2  0.3963  0.5000  0.2145  1.0
]