data_[Na2Ga4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8826]
_cell_length_b [4.5491]
_cell_length_c [12.5214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaGa2I3]
_chemical_formula_sum '[Na2 Ga4 I6]'
_cell_volume [438.8240]
_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  0.4706  0.2500  0.1679  1.0
  Ga  Ga1  2  0.0259  0.2500  0.8300  1.0
  Ga  Ga2  2  0.2517  0.2500  0.5029  1.0
  I  I3  2  0.1423  0.7500  0.6638  1.0
  I  I4  2  0.2564  0.7500  0.0015  1.0
  I  I5  2  0.3652  0.7500  0.3369  1.0
]