data_[Na8Ho4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ho  1.2300  1.7500  1.0410
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.1402]
_cell_length_b [15.6446]
_cell_length_c [15.3181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2HoI5]
_chemical_formula_sum '[Na8 Ho4 I20]'
_cell_volume [1471.4756]
_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
[
  Na  Na0  8  0.0000  0.1544  0.5553  1
  Ho  Ho1  4  0.0000  0.1866  0.2500  1
  I  I2  8  0.0000  0.0482  0.1197  1
  I  I3  8  0.0000  0.3149  0.0977  1
  I  I4  4  0.0000  0.2838  0.7500  1
]