data_AlZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.75
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn3
_chemical_formula_sum   'Al1 Zn3'
_cell_volume   62.91
_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  0.01  1.0
  Zn  Zn1  1  0.4  0.0  0.36  1.0
  Zn  Zn2  1  0.4  0.37  0.93  1.0
  Zn  Zn3  1  0.0  0.37  0.57  1.0

data_AlZn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.72
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn3
_chemical_formula_sum   'Al1 Zn3'
_cell_volume   62.91
_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  0.99  0.0  1.0
  Zn  Zn1  1  0.0  0.43  0.63  1.0
  Zn  Zn2  1  0.6  0.07  0.63  1.0
  Zn  Zn3  1  0.6  0.64  0.0  1.0

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