data_AlZnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   144.76
_cell_angle_beta   130.3
_cell_angle_gamma   62.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnCd2
_chemical_formula_sum   'Al1 Zn1 Cd2'
_cell_volume   80.52
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.87  1.0
  Cd  Cd1  1  0.0  0.39  0.39  1.0
  Cd  Cd2  1  0.72  0.0  0.48  1.0

data_AlZnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.79
_cell_length_c   5.7
_cell_angle_alpha   114.85
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnCd2
_chemical_formula_sum   'Al1 Zn1 Cd2'
_cell_volume   80.52
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.87  0.87  1.0
  Cd  Cd2  1  0.0  0.48  0.76  1.0
  Cd  Cd3  1  0.61  1.0  1.0  1.0

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