data_[Ho16Sn16I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [13.0169]
_cell_length_b [13.6552]
_cell_length_c [9.2889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [HoSnI]
_chemical_formula_sum '[Ho16 Sn16 I16]'
_cell_volume [1651.0903]
_cell_formula_units_Z [16]
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  16  0.0350  0.2813  0.9639  1
  Sn  Sn1  16  0.0183  0.3988  0.2592  1
  I  I2  16  0.0686  0.3744  0.6657  1
]