data_[Ho8I12]
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 [C2/m]
_cell_length_a [20.1607]
_cell_length_b [4.0600]
_cell_length_c [11.3728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2I3]
_chemical_formula_sum '[Ho8 I12]'
_cell_volume [868.7435]
_cell_formula_units_Z [4]
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  4  0.0730  0.0000  0.2382  1.0
  Ho  Ho1  4  0.0734  0.5000  0.9703  1.0
  I  I2  4  0.0771  0.0000  0.7602  1.0
  I  I3  4  0.1355  0.5000  0.4477  1.0
  I  I4  4  0.1911  0.0000  0.1330  1.0
]