data_PdRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.76
_cell_angle_alpha   99.67
_cell_angle_beta   99.67
_cell_angle_gamma   33.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRu2W
_chemical_formula_sum   'Pd1 Ru2 W1'
_cell_volume   59.2
_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  0.66  0.0  0.5  1.0
  Ru  Ru1  1  0.04  0.0  0.08  1.0
  Ru  Ru2  1  0.64  0.0  0.12  1.0
  W  W3  1  0.14  0.0  0.32  1.0

data_PdRu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.76
_cell_length_c   4.78
_cell_angle_alpha   99.67
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRu2W
_chemical_formula_sum   'Pd1 Ru2 W1'
_cell_volume   59.2
_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
  Ru  Ru0  1  0.0  0.08  0.04  1.0
  Ru  Ru1  1  0.0  0.12  0.64  1.0
  Pd  Pd2  1  0.0  0.5  0.66  1.0
  W  W3  1  0.0  0.32  0.14  1.0

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