data_[K5Dy3I12]
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 [P-62m]
_cell_length_a [14.8477]
_cell_length_b [14.8477]
_cell_length_c [4.4653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [K5(DyI4)3]
_chemical_formula_sum '[K5 Dy3 I12]'
_cell_volume [852.5125]
_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  3  0.0000  0.2818  0.5000  1.0
  K  K1  2  0.3333  0.6667  0.5000  1.0
  Dy  Dy2  3  0.0000  0.6744  0.0000  1.0
  I  I3  6  0.2049  0.4440  0.0000  1.0
  I  I4  3  0.0000  0.5310  0.5000  1.0
  I  I5  3  0.0000  0.8220  0.5000  1.0
]