data_[Mg6Zn6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1634]
_cell_length_b [2.9973]
_cell_length_c [6.7403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgZn]
_chemical_formula_sum '[Mg6 Zn6]'
_cell_volume [218.6885]
_cell_formula_units_Z [6]
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  0.0084  0.0000  0.0226  1.0
  Mg  Mg1  2  0.0541  0.0000  0.5924  1.0
  Mg  Mg2  2  0.3267  0.0000  0.6657  1.0
  Zn  Zn3  2  0.1750  0.5000  0.3281  1.0
  Zn  Zn4  2  0.2247  0.5000  0.9546  1.0
  Zn  Zn5  2  0.3779  0.0000  0.2699  1.0
]