data_[Al10Zn2]
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 [Cmmm]
_cell_length_a [4.0820]
_cell_length_b [11.7784]
_cell_length_c [4.1060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Al5Zn]
_chemical_formula_sum '[Al10 Zn2]'
_cell_volume [197.4156]
_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  4  0.0000  0.1662  0.0000  1.0
  Al  Al1  4  0.0000  0.3331  0.5000  1.0
  Al  Al2  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn3  2  0.0000  0.5000  0.0000  1.0
]