data_Sr2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   8.82
_cell_angle_alpha   28.44
_cell_angle_beta   28.44
_cell_angle_gamma   28.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MoPd
_chemical_formula_sum   'Sr2 Mo1 Pd1'
_cell_volume   137.29
_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  Sr2  1  0.0  0.0  0.48  1.0
  Sr  Sr3  1  0.0  0.0  0.91  1.0
  Mo  Mo0  1  0.0  0.0  0.75  1.0
  Pd  Pd1  1  0.0  0.0  0.27  1.0

data_Sr2MoPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.5
_cell_length_b   4.33
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   106.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2MoPd
_chemical_formula_sum   'Sr4 Mo2 Pd2'
_cell_volume   274.57
_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
  Sr  Sr0  2  0.0  0.0  0.09  1.0
  Sr  Sr1  2  0.0  0.0  0.52  1.0
  Mo  Mo2  2  0.0  0.0  0.25  1.0
  Pd  Pd3  2  0.0  0.0  0.73  1.0

Sr Sr Mo Pd