data_[Mg4Zn40Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.2241]
_cell_length_b [12.0808]
_cell_length_c [12.5055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Mg(Zn5Cu)2]
_chemical_formula_sum '[Mg4 Zn40 Cu8]'
_cell_volume [789.2414]
_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  0.0000  0.0000  1
  Zn  Zn1  16  0.0000  0.1096  0.3928  1
  Zn  Zn2  16  0.0000  0.1774  0.1693  1
  Zn  Zn3  8  0.2500  0.0000  0.2500  1
  Cu  Cu4  8  0.2500  0.2500  0.0000  1
]