data_[Al4Zn6]
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 [P2_1/m]
_cell_length_a [6.3162]
_cell_length_b [3.9362]
_cell_length_c [6.3330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al2Zn3]
_chemical_formula_sum '[Al4 Zn6]'
_cell_volume [157.4436]
_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  0.0548  0.7500  0.3486  1.0
  Al  Al1  2  0.2501  0.7500  0.7589  1.0
  Zn  Zn2  2  0.1562  0.2500  0.0543  1.0
  Zn  Zn3  2  0.3536  0.2500  0.4550  1.0
  Zn  Zn4  2  0.4549  0.7500  0.1507  1.0
]