data_[Mg8Al12Zn16]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.6249]
_cell_length_b [16.5191]
_cell_length_c [6.8892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Mg2Al3Zn4]
_chemical_formula_sum '[Mg8 Al12 Zn16]'
_cell_volume [640.1314]
_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  0.0000  0.0862  0.6145  1.0
  Al  Al1  8  0.2500  0.2452  0.2500  1.0
  Al  Al2  4  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  8  0.0000  0.1621  0.9850  1.0
  Zn  Zn4  8  0.2500  0.0787  0.2500  1.0
]