data_[Mg6Al14Cu8]
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/m]
_cell_length_a [14.5956]
_cell_length_b [3.9973]
_cell_length_c [9.4852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3Al7Cu4]
_chemical_formula_sum '[Mg6 Al14 Cu8]'
_cell_volume [461.6711]
_cell_formula_units_Z [2]
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  0.1921  0.5000  0.2017  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Al  Al2  4  0.0116  0.5000  0.8004  1
  Al  Al3  4  0.1673  0.0000  0.9289  1
  Al  Al4  4  0.1797  0.5000  0.5132  1
  Al  Al5  2  0.0000  0.0000  0.0000  1
  Cu  Cu6  4  0.1125  0.0000  0.3189  1
  Cu  Cu7  4  0.1676  0.5000  0.7631  1
]