data_Be2AlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   2.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlZn
_chemical_formula_sum   'Be2 Al1 Zn1'
_cell_volume   48.52
_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
  Be  Be1  1  0.27  0.77  0.35  1.0
  Be  Be2  1  0.27  0.23  0.35  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.55  0.0  0.0  1.0

data_Be2AlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.36
_cell_length_c   4.36
_cell_angle_alpha   108.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlZn
_chemical_formula_sum   'Be2 Al1 Zn1'
_cell_volume   48.52
_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
  Be  Be0  1  0.35  0.27  0.23  1.0
  Be  Be1  1  0.35  0.27  0.77  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  -0.0  0.55  0.0  1.0

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