data_[K4In4Sn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6452]
_cell_length_b [11.4795]
_cell_length_c [7.9265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2In2SnS6]
_chemical_formula_sum '[K4 In4 Sn2 S12]'
_cell_volume [579.1427]
_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  0.1682  0.0000  1
  In  In1  4  0.0000  0.3313  0.5000  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2287  0.1631  0.6926  1
  S  S4  4  0.2403  0.5000  0.6887  1
]