data_[K4Cr4S12]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2462]
_cell_length_b [7.7157]
_cell_length_c [10.4723]
_cell_angle_alpha [79.4081]
_cell_angle_beta [88.8209]
_cell_angle_gamma [85.6296]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCrS3]
_chemical_formula_sum '[K4 Cr4 S12]'
_cell_volume [494.6523]
_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  0.0517  0.7308  0.0495  1
  K  K1  2  0.4881  0.3190  0.6566  1
  Cr  Cr2  2  0.0299  0.1202  0.3378  1
  Cr  Cr3  2  0.4662  0.7812  0.7865  1
  S  S4  2  0.0789  0.8378  0.4602  1
  S  S5  2  0.1800  0.6236  0.7507  1
  S  S6  2  0.2214  0.0050  0.7746  1
  S  S7  2  0.2682  0.0379  0.1763  1
  S  S8  2  0.3309  0.2736  0.3747  1
  S  S9  2  0.4288  0.3775  0.0207  1
]