data_SnMoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   130.94
_cell_angle_beta   130.94
_cell_angle_gamma   71.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnMoPd2
_chemical_formula_sum   'Sn1 Mo1 Pd2'
_cell_volume   67.19
_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
  Sn  Sn3  1  0.0  0.0  1.0  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.05  0.0  1.0  1.0
  Pd  Pd2  1  0.0  0.05  1.0  1.0

data_SnMoPd2
_symmetry_space_group_name_H-M   Fmm2
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   42
_chemical_formula_structural   SnMoPd2
_chemical_formula_sum   'Sn4 Mo4 Pd8'
_cell_volume   268.75
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y, z+1/2'
  6  '-x+1/2, -y, z+1/2'
  7  '-x+1/2, y, z+1/2'
  8  'x+1/2, -y, z+1/2'
  9  'x+1/2, y+1/2, z'
  10  '-x+1/2, -y+1/2, z'
  11  '-x+1/2, y+1/2, z'
  12  'x+1/2, -y+1/2, z'
  13  'x, y+1/2, z+1/2'
  14  '-x, -y+1/2, z+1/2'
  15  '-x, y+1/2, z+1/2'
  16  'x, -y+1/2, z+1/2'
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
  Sn  Sn0  4  0.0  0.0  1.0  1.0
  Mo  Mo1  4  0.0  0.0  1.0  1.0
  Pd  Pd2  8  0.02  0.0  0.97  1.0

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