data_[K6La4In2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  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 [7.2267]
_cell_length_b [12.5242]
_cell_length_c [7.8233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3La2InS6]
_chemical_formula_sum '[K6 La4 In2 S12]'
_cell_volume [673.5230]
_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  0.1665  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  La  La2  4  0.0000  0.3333  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2270  0.1584  0.2058  1.0
  S  S5  4  0.2474  0.0000  0.7957  1.0
]