data_AlMoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   144.99
_cell_angle_beta   128.55
_cell_angle_gamma   63.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMoPd2
_chemical_formula_sum   'Al1 Mo1 Pd2'
_cell_volume   60.3
_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
  Mo  Mo1  1  0.0  0.0  0.37  1.0
  Pd  Pd2  1  0.0  0.23  0.34  1.0
  Pd  Pd3  1  0.55  0.0  0.03  1.0

data_AlMoPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.46
_cell_length_c   5.14
_cell_angle_alpha   115.73
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMoPd2
_chemical_formula_sum   'Al1 Mo1 Pd2'
_cell_volume   60.3
_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
  Mo  Mo1  1  0.63  0.63  0.63  1.0
  Pd  Pd2  1  0.52  0.97  0.52  1.0
  Pd  Pd3  1  0.66  0.89  0.89  1.0

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