data_[Mg6Al4Zn8]
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 [C2/m]
_cell_length_a [9.8121]
_cell_length_b [4.5252]
_cell_length_c [8.2590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3(AlZn2)2]
_chemical_formula_sum '[Mg6 Al4 Zn8]'
_cell_volume [323.4722]
_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  0.1634  0.5000  0.6716  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1151  0.5000  0.2829  1.0
  Zn  Zn3  4  0.0709  0.0000  0.4032  1.0
  Zn  Zn4  4  0.2093  0.5000  0.0400  1.0
]