data_[K6Y4In2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9643]
_cell_length_b [12.0644]
_cell_length_c [7.7481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Y2InS6]
_chemical_formula_sum '[K6 Y4 In2 S12]'
_cell_volume [621.0653]
_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  0.1671  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  4  0.0000  0.3334  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2304  0.1635  0.2010  1.0
  S  S5  4  0.2401  0.5000  0.2010  1.0
]