data_[Mg24Al4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.8871]
_cell_length_b [14.5264]
_cell_length_c [5.8755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg6AlGa3]
_chemical_formula_sum '[Mg24 Al4 Ga12]'
_cell_volume [843.8733]
_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
[
  Mg  Mg0  8  0.1872  0.4836  0.3998  1
  Mg  Mg1  8  0.2473  0.3062  0.6753  1
  Mg  Mg2  4  0.0000  0.0554  0.1841  1
  Mg  Mg3  4  0.0000  0.2731  0.3645  1
  Al  Al4  4  0.0000  0.2285  0.8900  1
  Ga  Ga5  8  0.1424  0.1196  0.6092  1
  Ga  Ga6  4  0.0000  0.4000  0.7073  1
]