data_[Ho4Si4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1787]
_cell_length_b [4.0599]
_cell_length_c [12.9167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoSiI]
_chemical_formula_sum '[Ho4 Si4 I4]'
_cell_volume [366.0188]
_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  0.0589  0.0000  0.1486  1.0
  Si  Si1  4  0.1679  0.5000  0.0071  1.0
  I  I2  4  0.0381  0.5000  0.6888  1.0
]