data_MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   129.91
_cell_angle_beta   129.91
_cell_angle_gamma   73.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd
_chemical_formula_sum   'Mo2 Pd2'
_cell_volume   61.96
_cell_formula_units_Z   2
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
  Mo  Mo0  1  0.0  0.02  0.91  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.81  1.0
  Pd  Pd3  1  0.02  0.0  0.91  1.0

data_MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   4.76
_cell_angle_alpha   115.04
_cell_angle_beta   115.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd
_chemical_formula_sum   'Mo2 Pd2'
_cell_volume   61.96
_cell_formula_units_Z   2
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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.11  0.02  0.11  1.0
  Pd  Pd2  1  0.09  0.0  0.11  1.0
  Pd  Pd3  1  0.19  0.0  0.19  1.0

Mo Mo Pd Pd