data_[Ho8C4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2441]
_cell_length_b [4.0044]
_cell_length_c [11.4542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2CI3]
_chemical_formula_sum '[Ho8 C4 I12]'
_cell_volume [831.3970]
_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  0.0641  0.0000  0.6906  1.0
  Ho  Ho1  4  0.1045  0.5000  0.4429  1.0
  C  C2  4  0.0165  0.5000  0.5642  1.0
  I  I3  4  0.0771  0.0000  0.2289  1.0
  I  I4  4  0.1316  0.5000  0.8996  1.0
  I  I5  4  0.2085  0.0000  0.6259  1.0
]