data_[K4Ho2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0669]
_cell_length_b [19.2394]
_cell_length_c [9.4525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [K2HoI6]
_chemical_formula_sum '[K4 Ho2 I12]'
_cell_volume [739.6131]
_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  0.1588  0.5046  1
  Ho  Ho1  2  0.5000  0.0000  0.9643  1
  I  I2  4  0.0000  0.1126  0.8859  1
  I  I3  4  0.5000  0.2180  0.2140  1
  I  I4  2  0.0000  0.0000  0.2165  1
  I  I5  2  0.5000  0.0000  0.6102  1
]