data_[Mg8Al4Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9590]
_cell_length_b [5.0614]
_cell_length_c [7.4862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2AlCu2]
_chemical_formula_sum '[Mg8 Al4 Cu8]'
_cell_volume [328.1244]
_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  0.1564  0.3598  0.1526  1.0
  Al  Al1  4  0.0000  0.1684  0.7500  1.0
  Cu  Cu2  8  0.1274  0.1421  0.4967  1.0
]