data_[Mg2Al6Zn2]
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 [P2_1/m]
_cell_length_a [5.2372]
_cell_length_b [5.4804]
_cell_length_c [6.4486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgAl3Zn]
_chemical_formula_sum '[Mg2 Al6 Zn2]'
_cell_volume [180.8155]
_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  2  0.3491  0.2500  0.3145  1.0
  Al  Al1  4  0.1978  0.0003  0.8762  1.0
  Al  Al2  2  0.0944  0.7500  0.4848  1.0
  Zn  Zn3  2  0.4051  0.7500  0.2270  1.0
]