data_SrMo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   5.44
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   94.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2Pd
_chemical_formula_sum   'Sr1 Mo2 Pd1'
_cell_volume   78.8
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.82  0.72  0.66  1.0
  Mo  Mo1  1  0.73  0.72  0.29  1.0
  Pd  Pd2  1  0.27  0.0  0.48  1.0

data_SrMo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.97
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2Pd
_chemical_formula_sum   'Sr1 Mo2 Pd1'
_cell_volume   78.8
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.18  0.34  0.28  1.0
  Mo  Mo2  1  0.27  0.71  0.28  1.0
  Pd  Pd3  1  0.73  0.52  0.0  1.0

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