data_MoPPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.11
_cell_length_c   2.84
_cell_angle_alpha   80.76
_cell_angle_beta   72.87
_cell_angle_gamma   26.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPPd
_chemical_formula_sum   'Mo1 P1 Pd1'
_cell_volume   45.02
_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
  Mo  Mo0  1  0.67  0.3  0.19  1.0
  P  P1  1  0.67  0.3  0.81  1.0
  Pd  Pd2  1  0.67  0.3  0.75  1.0

data_MoPPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.34
_cell_length_b   11.75
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   126.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoPPd
_chemical_formula_sum   'Mo2 P2 Pd2'
_cell_volume   90.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.3  0.0  0.14  1.0
  P  P1  2  0.3  0.0  0.52  1.0
  Pd  Pd2  2  0.3  0.0  0.58  1.0

Mo P Pd