data_Al2ZnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2ZnPt
_chemical_formula_sum   'Al2 Zn1 Pt1'
_cell_volume   61.5
_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  0.71  0.71  0.16  1.0
  Al  Al1  1  0.0  0.0  0.42  1.0
  Zn  Zn3  1  0.0  0.0  0.99  1.0
  Pt  Pt2  1  0.71  0.71  0.51  1.0

data_Al2ZnPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2ZnPt
_chemical_formula_sum   'Al4 Zn2 Pt2'
_cell_volume   122.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.42  1.0
  Al  Al1  2  0.21  0.5  0.16  1.0
  Zn  Zn2  2  0.0  0.0  0.99  1.0
  Pt  Pt3  2  0.21  0.5  0.51  1.0

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