data_OsPdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.92
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPdW2
_chemical_formula_sum   'Os1 Pd1 W2'
_cell_volume   62.42
_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
  Os  Os0  1  0.41  0.96  0.69  1.0
  Pd  Pd1  1  0.0  0.0  0.25  1.0
  W  W2  1  0.41  0.96  0.01  1.0
  W  W3  1  0.0  0.0  0.52  1.0

data_OsPdW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.92
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPdW2
_chemical_formula_sum   'Os1 Pd1 W2'
_cell_volume   62.42
_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
  Pd  Pd0  1  0.0  0.0  0.25  1.0
  Os  Os1  1  0.41  0.96  0.69  1.0
  W  W2  1  0.0  0.0  0.52  1.0
  W  W3  1  0.41  0.96  0.01  1.0

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