data_[Mg3Al1Ga2Cu9]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0970]
_cell_length_b [6.0970]
_cell_length_c [8.6638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Mg3AlGa2Cu9]
_chemical_formula_sum '[Mg3 Al1 Ga2 Cu9]'
_cell_volume [278.9117]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.7388  1
  Mg  Mg1  1  0.0000  0.0000  0.0000  1
  Al  Al2  1  0.0000  0.0000  0.5000  1
  Ga  Ga3  2  0.3333  0.6667  0.1873  1
  Cu  Cu4  6  0.1305  0.2610  0.2689  1
  Cu  Cu5  3  0.0000  0.5000  0.0000  1
]