data_[K2Sn2Sb2S6]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8957]
_cell_length_b [4.0608]
_cell_length_c [10.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KSnSbS3]
_chemical_formula_sum '[K2 Sn2 Sb2 S6]'
_cell_volume [330.6476]
_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  0.3996  0.2500  0.3223  1.0
  Sn  Sn1  2  0.2265  0.7500  0.9894  1.0
  Sb  Sb2  2  0.1072  0.2500  0.6694  1.0
  S  S3  2  0.0428  0.2500  0.1564  1.0
  S  S4  2  0.2309  0.7500  0.5304  1.0
  S  S5  2  0.3561  0.2500  0.8260  1.0
]