data_[Na1In6Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [8.5380]
_cell_length_b [8.5380]
_cell_length_c [4.5413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Na(In3Ga2)2]
_chemical_formula_sum '[Na1 In6 Ga4]'
_cell_volume [286.6981]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  In  In1  3  0.0610  0.5305  0.0000  1.0
  In  In2  3  0.3816  0.1908  0.5000  1.0
  Ga  Ga3  3  0.2136  0.4272  0.5000  1.0
  Ga  Ga4  1  0.6667  0.3333  0.0000  1.0
]