data_[Na12Mg2Ga4]
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 [C2/m]
_cell_length_a [10.0155]
_cell_length_b [5.2638]
_cell_length_c [9.6184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na6MgGa2]
_chemical_formula_sum '[Na12 Mg2 Ga4]'
_cell_volume [499.8715]
_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  0.0349  0.5000  0.7184  1
  Na  Na1  4  0.1780  0.0000  0.5825  1
  Na  Na2  4  0.1990  0.5000  0.0787  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Ga  Ga4  4  0.1486  0.0000  0.2628  1
]