data_[Ho4C4I4]
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 [7.2779]
_cell_length_b [3.8847]
_cell_length_c [11.2915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoCI]
_chemical_formula_sum '[Ho4 C4 I4]'
_cell_volume [318.6638]
_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  0.1453  0.0000  0.6205  1
  C  C1  4  0.0778  0.5000  0.4720  1
  I  I2  4  0.1770  0.0000  0.1934  1
]