data_SrAl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   144.37
_cell_angle_beta   129.34
_cell_angle_gamma   63.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Zn
_chemical_formula_sum   'Sr1 Al2 Zn1'
_cell_volume   94.15
_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
  Sr  Sr2  1  0.0  0.0  0.07  1.0
  Al  Al0  1  0.0  0.55  0.86  1.0
  Al  Al1  1  0.82  0.0  0.21  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_SrAl2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.1
_cell_length_c   5.96
_cell_angle_alpha   115.33
_cell_angle_beta   107.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Zn
_chemical_formula_sum   'Sr1 Al2 Zn1'
_cell_volume   94.15
_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
  Sr  Sr0  1  0.0  0.07  0.07  1.0
  Al  Al1  1  0.0  0.21  0.39  1.0
  Al  Al2  1  0.45  0.31  0.31  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

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