data_[K6Cr4In2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  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 [6.5201]
_cell_length_b [11.2946]
_cell_length_c [7.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Cr2InS6]
_chemical_formula_sum '[K6 Cr4 In2 S12]'
_cell_volume [528.2649]
_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  0.1619  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.3331  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2385  0.8225  0.1825  1.0
  S  S5  4  0.2058  0.5000  0.1811  1.0
]