data_[K2Sn2S6]
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 [P-1]
_cell_length_a [6.7853]
_cell_length_b [7.5159]
_cell_length_c [7.5505]
_cell_angle_alpha [113.4986]
_cell_angle_beta [110.5217]
_cell_angle_gamma [99.4253]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSnS3]
_chemical_formula_sum '[K2 Sn2 S6]'
_cell_volume [309.3677]
_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  0.0869  0.8288  0.6861  1.0
  Sn  Sn1  2  0.2869  0.5076  0.0846  1.0
  S  S2  2  0.0735  0.7624  0.2027  1.0
  S  S3  2  0.3849  0.5738  0.4622  1.0
  S  S4  2  0.4853  0.7309  0.9930  1.0
]