data_[Na6Ho3Ga3I18]
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
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0304]
_cell_length_b [8.0304]
_cell_length_c [21.8873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2HoGaI6]
_chemical_formula_sum '[Na6 Ho3 Ga3 I18]'
_cell_volume [1222.3410]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4830  1.0
  Na  Na1  3  0.0000  0.0000  0.9929  1.0
  Ho  Ho2  3  0.0000  0.0000  0.6728  1.0
  Ga  Ga3  3  0.0000  0.0000  0.1809  1.0
  I  I4  9  0.0026  0.7004  0.5874  1.0
  I  I5  9  0.0085  0.3623  0.4155  1.0
]