data_Al3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   149.85
_cell_angle_beta   62.64
_cell_angle_gamma   126.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Zn
_chemical_formula_sum   'Al3 Zn1'
_cell_volume   64.99
_cell_formula_units_Z   1
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  1  0.0  0.33  0.46  1.0
  Al  Al1  1  0.42  0.33  1.0  1.0
  Al  Al2  1  0.0  0.0  0.09  1.0
  Zn  Zn3  1  0.42  0.0  0.64  1.0

data_Al3Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.91
_cell_length_c   5.46
_cell_angle_alpha   116.75
_cell_angle_beta   105.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Zn
_chemical_formula_sum   'Al3 Zn1'
_cell_volume   64.99
_cell_formula_units_Z   1
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  1  0.09  0.09  0.09  1.0
  Al  Al1  1  0.46  0.13  0.13  1.0
  Al  Al2  1  1.0  0.67  0.09  1.0
  Zn  Zn3  1  0.64  0.64  0.06  1.0

Al Al Al Zn