data_AlZnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.1
_cell_angle_alpha   101.53
_cell_angle_beta   101.53
_cell_angle_gamma   39.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnPd2
_chemical_formula_sum   'Al1 Zn1 Pd2'
_cell_volume   60.42
_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  0.55  0.0  0.49  1.0
  Pd  Pd1  1  0.26  0.0  0.76  1.0
  Pd  Pd2  1  0.85  0.0  0.22  1.0

data_AlZnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.35
_cell_length_c   5.1
_cell_angle_alpha   101.53
_cell_angle_beta   90.0
_cell_angle_gamma   109.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnPd2
_chemical_formula_sum   'Al1 Zn1 Pd2'
_cell_volume   60.42
_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  0.45  0.51  1.0
  Pd  Pd2  1  0.0  0.15  0.78  1.0
  Pd  Pd3  1  0.0  0.74  0.24  1.0

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