data_[Mg4Al8Ga8]
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 [C2/c]
_cell_length_a [7.2545]
_cell_length_b [13.0831]
_cell_length_c [4.9658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg(AlGa)2]
_chemical_formula_sum '[Mg4 Al8 Ga8]'
_cell_volume [369.0585]
_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  4  0.0000  0.1527  0.7500  1
  Al  Al1  8  0.2408  0.0569  0.4894  1
  Ga  Ga2  4  0.0000  0.2622  0.2500  1
  Ga  Ga3  4  0.0000  0.3781  0.7500  1
]