data_AlMo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   139.46
_cell_angle_beta   135.24
_cell_angle_gamma   61.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMo2Pd
_chemical_formula_sum   'Al1 Mo2 Pd1'
_cell_volume   61.24
_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  0.78  0.0  0.18  1.0
  Mo  Mo2  1  0.0  0.96  0.22  1.0
  Pd  Pd3  1  0.0  0.0  0.4  1.0

data_AlMo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.91
_cell_length_c   5.13
_cell_angle_alpha   112.38
_cell_angle_beta   110.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMo2Pd
_chemical_formula_sum   'Al1 Mo2 Pd1'
_cell_volume   61.24
_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  0.18  0.4  1.0
  Mo  Mo2  1  0.04  0.26  0.26  1.0
  Pd  Pd3  1  0.0  0.4  0.4  1.0

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