data_[Mg8Al8Ga24]
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 [Cmce]
_cell_length_a [9.4377]
_cell_length_b [11.0026]
_cell_length_c [7.3205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [MgAlGa3]
_chemical_formula_sum '[Mg8 Al8 Ga24]'
_cell_volume [760.1535]
_cell_formula_units_Z [8]
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  0.0000  0.2203  0.0953  1.0
  Al  Al1  8  0.2500  0.1454  0.7500  1.0
  Ga  Ga2  16  0.1675  0.1073  0.3973  1.0
  Ga  Ga3  8  0.0000  0.0371  0.8263  1.0
]