data_[K4Sn2Sb4S12]
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 [C2/m]
_cell_length_a [6.8761]
_cell_length_b [11.7881]
_cell_length_c [7.9899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sn(SbS3)2]
_chemical_formula_sum '[K4 Sn2 Sb4 S12]'
_cell_volume [618.9439]
_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  4  0.0000  0.1716  0.0000  1.0
  Sn  Sn1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  4  0.0000  0.3303  0.5000  1.0
  S  S3  8  0.2243  0.1600  0.6959  1.0
  S  S4  4  0.2347  0.0000  0.3038  1.0
]