data_[Mg4Zn4]
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 [Pmm2]
_cell_length_a [4.7305]
_cell_length_b [6.0687]
_cell_length_c [5.0230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [MgZn]
_chemical_formula_sum '[Mg4 Zn4]'
_cell_volume [144.1995]
_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  2  0.0000  0.2351  0.5006  1
  Mg  Mg1  1  0.0000  0.5000  0.0161  1
  Mg  Mg2  1  0.5000  0.5000  0.6497  1
  Zn  Zn3  2  0.5000  0.2368  0.1609  1
  Zn  Zn4  1  0.0000  0.0000  0.9957  1
  Zn  Zn5  1  0.5000  0.0000  0.6821  1
]