data_[Ho5I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.7334]
_cell_length_b [7.7334]
_cell_length_c [20.4362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ho5I6]
_chemical_formula_sum '[Ho5 I6]'
_cell_volume [1058.4584]
_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
[
  Ho  Ho0  3  0.0000  0.2380  0.5259  1
  Ho  Ho1  2  0.3333  0.6667  0.4518  1
  I  I2  3  0.0000  0.7163  0.3881  1
  I  I3  2  0.3333  0.6667  0.6001  1
  I  I4  1  0.0000  0.0000  0.6541  1
]