data_[Na2Ho4I12]
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 [C2/m]
_cell_length_a [24.0964]
_cell_length_b [3.9882]
_cell_length_c [19.5423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(HoI3)2]
_chemical_formula_sum '[Na2 Ho4 I12]'
_cell_volume [1878.0428]
_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
[
  Na  Na0  2  0.0000  0.5000  0.5000  1
  Ho  Ho1  4  0.1583  0.0000  0.5265  1
  I  I2  4  0.0874  0.5000  0.6162  1
  I  I3  4  0.1112  0.5000  0.4190  1
  I  I4  4  0.2442  0.5000  0.5883  1
]