data_[K4Al2Cr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1709]
_cell_length_b [10.3305]
_cell_length_c [7.7195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Al(CrS3)2]
_chemical_formula_sum '[K4 Al2 Cr4 S12]'
_cell_volume [477.4852]
_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  0.1729  0.0000  1.0
  Al  Al1  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.3415  0.5000  1.0
  S  S3  8  0.2217  0.1673  0.6718  1.0
  S  S4  4  0.2245  0.5000  0.6836  1.0
]