data_Sn2OsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.01
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2OsPd
_chemical_formula_sum   'Sn2 Os1 Pd1'
_cell_volume   74.55
_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  Sn2  1  0.68  0.0  0.28  1.0
  Sn  Sn3  1  0.0  0.0  0.66  1.0
  Os  Os0  1  0.68  0.0  0.54  1.0
  Pd  Pd1  1  0.0  0.0  0.38  1.0

data_Sn2OsPd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.36
_cell_length_b   4.01
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sn2OsPd
_chemical_formula_sum   'Sn2 Os1 Pd1'
_cell_volume   74.55
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Sn0  1  0.0  0.0  0.66  1.0
  Sn  Sn1  1  0.68  0.0  0.28  1.0
  Pd  Pd2  1  0.0  0.0  0.38  1.0
  Os  Os3  1  0.68  0.0  0.54  1.0

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