data_[Na8Al4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7697]
_cell_length_b [4.2941]
_cell_length_c [10.8729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2AlGa2]
_chemical_formula_sum '[Na8 Al4 Ga8]'
_cell_volume [470.9363]
_cell_formula_units_Z [4]
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  0.0234  0.5000  0.6880  1.0
  Na  Na1  4  0.1967  0.5000  0.1032  1.0
  Al  Al2  4  0.2265  0.0000  0.3847  1.0
  Ga  Ga3  4  0.0091  0.0000  0.1237  1.0
  Ga  Ga4  4  0.1255  0.0000  0.5561  1.0
]