data_[Na10Ga2I12]
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 [C2/m]
_cell_length_a [8.0319]
_cell_length_b [13.9028]
_cell_length_c [8.0220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5GaI6]
_chemical_formula_sum '[Na10 Ga2 I12]'
_cell_volume [844.0196]
_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  4  0.0000  0.1649  0.5000  1
  Na  Na1  4  0.0000  0.3329  0.0000  1
  Na  Na2  2  0.0000  0.5000  0.5000  1
  Ga  Ga3  2  0.0000  0.0000  0.0000  1
  I  I4  8  0.2471  0.3311  0.7475  1
  I  I5  4  0.2457  0.5000  0.2525  1
]