data_[Na4Mg12Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5314]
_cell_length_b [8.6581]
_cell_length_c [13.9086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [NaMg3Ga2]
_chemical_formula_sum '[Na4 Mg12 Ga8]'
_cell_volume [545.6838]
_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  0.0000  0.0000  0.1279  1.0
  Mg  Mg1  8  0.0000  0.1977  0.3273  1.0
  Mg  Mg2  4  0.0000  0.3311  0.0000  1.0
  Ga  Ga3  4  0.0000  0.3558  0.5000  1.0
  Ga  Ga4  4  0.0000  0.5000  0.1963  1.0
]