data_[K4Cr4S4O4]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.6510]
_cell_length_b [5.6349]
_cell_length_c [11.2334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KCrSO]
_chemical_formula_sum '[K4 Cr4 S4 O4]'
_cell_volume [349.7447]
_cell_formula_units_Z [4]
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  0.2687  0.3288  0.7578  1
  K  K1  2  0.2890  0.7230  0.4509  1
  Cr  Cr2  2  0.0175  0.8252  0.0154  1
  Cr  Cr3  2  0.4930  0.8231  0.9491  1
  S  S4  2  0.1533  0.2321  0.3458  1
  S  S5  2  0.4831  0.3185  0.2885  1
  O  O6  2  0.2417  0.0778  0.9740  1
  O  O7  2  0.2442  0.5715  0.9795  1
]