data_[Al2Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.8056]
_cell_length_b [4.9253]
_cell_length_c [5.3428]
_cell_angle_alpha [66.4253]
_cell_angle_beta [79.1131]
_cell_angle_gamma [89.6295]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlZn]
_chemical_formula_sum '[Al2 Zn2]'
_cell_volume [66.2540]
_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
[
  Al  Al0  2  0.1413  0.4579  0.2499  1.0
  Zn  Zn1  2  0.3711  0.0435  0.7498  1.0
]