data_[K3Li3Fe6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7519]
_cell_length_b [6.7519]
_cell_length_c [17.1333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KLi(FeCl3)2]
_chemical_formula_sum '[K3 Li3 Fe6 Cl18]'
_cell_volume [676.4322]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4565  1
  Li  Li1  3  0.0000  0.0000  0.0119  1
  Fe  Fe2  3  0.0000  0.0000  0.2032  1
  Fe  Fe3  3  0.0000  0.0000  0.6907  1
  Cl  Cl4  9  0.0033  0.6073  0.9445  1
  Cl  Cl5  9  0.1119  0.3422  0.7740  1
]