data_[Na3Sm3Ga6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1856]
_cell_length_b [8.1856]
_cell_length_c [21.8615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaSm(GaI3)2]
_chemical_formula_sum '[Na3 Sm3 Ga6 I18]'
_cell_volume [1268.5667]
_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  0.1811  1
  Sm  Sm1  3  0.0000  0.0000  0.6747  1
  Ga  Ga2  3  0.0000  0.0000  0.4857  1
  Ga  Ga3  3  0.0000  0.0000  0.9901  1
  I  I4  9  0.0380  0.3353  0.7502  1
  I  I5  9  0.0394  0.6756  0.2522  1
]