data_[K1Dy1I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5738]
_cell_length_b [4.5271]
_cell_length_c [8.8054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KDyI4]
_chemical_formula_sum '[K1 Dy1 I4]'
_cell_volume [301.4006]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Dy  Dy1  1  0.0000  0.0000  0.0000  1
  I  I2  2  0.2298  0.5000  0.8738  1
  I  I3  2  0.2351  0.0000  0.2858  1
]