data_[K2In2Sn2S6]
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 [P2_1/m]
_cell_length_a [9.1629]
_cell_length_b [4.1169]
_cell_length_c [10.5792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KInSnS3]
_chemical_formula_sum '[K2 In2 Sn2 S6]'
_cell_volume [395.5519]
_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  0.1459  0.2500  0.1488  1.0
  In  In1  2  0.1026  0.2500  0.6163  1.0
  Sn  Sn2  2  0.3956  0.7500  0.8577  1.0
  S  S3  2  0.1302  0.2500  0.8426  1.0
  S  S4  2  0.1719  0.7500  0.4911  1.0
  S  S5  2  0.3944  0.7500  0.1002  1.0
]