data_[Ho4I9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.2181]
_cell_length_b [11.0421]
_cell_length_c [19.6720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [109.1708]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ho4I9]
_chemical_formula_sum '[Ho4 I9]'
_cell_volume [1686.1540]
_cell_formula_units_Z [1]
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  0.1912  0.2377  0.5026  1
  Ho  Ho1  1  0.3990  0.9881  0.4989  1
  Ho  Ho2  1  0.5350  0.5343  0.4997  1
  Ho  Ho3  1  0.9549  0.4635  0.5031  1
  I  I4  1  0.0845  0.7593  0.5104  1
  I  I5  1  0.2210  0.4518  0.3975  1
  I  I6  1  0.2324  0.4606  0.6056  1
  I  I7  1  0.2626  0.0882  0.3827  1
  I  I8  1  0.2882  0.0969  0.6201  1
  I  I9  1  0.5988  0.8109  0.4598  1
  I  I10  1  0.7165  0.4593  0.3859  1
  I  I11  1  0.7202  0.4799  0.6190  1
  I  I12  1  0.7956  0.1696  0.5148  1
]