data_[K2Dy2Fe4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Dy  1.2200  1.7500  1.1310
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2337]
_cell_length_b [8.4538]
_cell_length_c [10.4411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KDy(FeI4)2]
_chemical_formula_sum '[K2 Dy2 Fe4 I16]'
_cell_volume [1078.2522]
_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  2  0.0000  0.0000  0.5000  1.0
  Dy  Dy1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1296  0.5000  0.7795  1.0
  I  I3  8  0.0066  0.2519  0.2120  1.0
  I  I4  4  0.2116  0.5000  0.5604  1.0
  I  I5  4  0.2458  0.0000  0.0037  1.0
]