data_[K8Cr6Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9860]
_cell_length_b [4.9860]
_cell_length_c [35.3059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K4Cr3Cl10]
_chemical_formula_sum '[K8 Cr6 Cl20]'
_cell_volume [877.7008]
_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  0.0000  0.2995  1
  K  K1  4  0.0000  0.0000  0.4311  1
  Cr  Cr2  4  0.0000  0.0000  0.1411  1
  Cr  Cr3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  8  0.0000  0.5000  0.1395  1
  Cl  Cl5  4  0.0000  0.0000  0.0712  1
  Cl  Cl6  4  0.0000  0.0000  0.2104  1
  Cl  Cl7  4  0.0000  0.5000  0.0000  1
]