data_[K3Mg3Fe6I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.3007]
_cell_length_b [7.3007]
_cell_length_c [31.8310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [KMg(FeI4)2]
_chemical_formula_sum '[K3 Mg3 Fe6 I24]'
_cell_volume [1469.2835]
_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  0.5000  1.0
  Mg  Mg1  3  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  6  0.0000  0.0000  0.2539  1.0
  I  I3  18  0.0030  0.3420  0.7215  1.0
  I  I4  6  0.0000  0.0000  0.1737  1.0
]