data_AlZnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.41
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnCu2
_chemical_formula_sum   'Al1 Zn1 Cu2'
_cell_volume   52.57
_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  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.77  1.0
  Cu  Cu1  1  0.39  0.71  0.37  1.0
  Cu  Cu2  1  0.39  0.71  0.17  1.0

data_AlZnCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.41
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnCu2
_chemical_formula_sum   'Al1 Zn1 Cu2'
_cell_volume   52.57
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.77  1.0
  Cu  Cu2  1  0.39  0.71  0.17  1.0
  Cu  Cu3  1  0.39  0.71  0.37  1.0

Al Zn Cu Cu
Al Zn Cu Cu 0 1 o o - 2 3 o o o 