data_Os2PdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2PdW
_chemical_formula_sum   'Os2 Pd1 W1'
_cell_volume   59.9
_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  0.39  0.08  0.41  1.0
  Os  Os1  1  0.39  0.92  0.41  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.78  0.0  0.0  1.0

data_Os2PdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   108.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2PdW
_chemical_formula_sum   'Os2 Pd1 W1'
_cell_volume   59.9
_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  0.0  1.0
  Os  Os1  1  0.41  0.39  0.08  1.0
  Os  Os2  1  0.41  0.39  0.92  1.0
  W  W3  1  0.0  0.78  0.0  1.0

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