data_Ho2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2I
_chemical_formula_sum   'Ho4 I2'
_cell_volume   203.21
_cell_formula_units_Z   2
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  1  0.03  0.03  0.0  1.0
  Ho  Ho1  1  0.88  0.88  0.0  1.0
  Ho  Ho2  1  0.49  0.42  0.13  1.0
  Ho  Ho3  1  0.42  0.49  0.13  1.0
  I  I4  1  0.0  0.0  0.0  1.0
  I  I5  1  0.46  0.46  0.13  1.0

data_Ho2I
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.78
_cell_length_b   9.78
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ho2I
_chemical_formula_sum   'Ho8 I4'
_cell_volume   406.43
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.46  0.03  0.13  1.0
  Ho  Ho1  2  0.03  0.0  0.0  1.0
  Ho  Ho2  2  0.38  0.5  0.0  1.0
  I  I3  2  0.0  0.0  0.0  1.0
  I  I4  2  0.46  0.0  0.13  1.0

Ho Ho Ho Ho I I