data_Mg2AlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.15
_cell_angle_alpha   101.3
_cell_angle_beta   101.3
_cell_angle_gamma   33.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlZn
_chemical_formula_sum   'Mg2 Al1 Zn1'
_cell_volume   75.4
_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
  Mg  Mg1  1  0.92  0.0  0.96  1.0
  Mg  Mg2  1  0.33  0.0  0.35  1.0
  Al  Al0  1  0.59  0.0  0.79  1.0
  Zn  Zn3  1  0.58  0.0  0.49  1.0

data_Mg2AlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.15
_cell_length_c   5.23
_cell_angle_alpha   101.3
_cell_angle_beta   106.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlZn
_chemical_formula_sum   'Mg2 Al1 Zn1'
_cell_volume   75.4
_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
  Mg  Mg0  1  0.0  0.35  0.33  1.0
  Mg  Mg1  1  0.0  0.96  0.92  1.0
  Al  Al2  1  0.0  0.79  0.59  1.0
  Zn  Zn3  1  0.0  0.49  0.58  1.0

Mg Mg Al Zn