data_SiPdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   143.17
_cell_angle_beta   130.66
_cell_angle_gamma   63.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdW2
_chemical_formula_sum   'Si1 Pd1 W2'
_cell_volume   60.46
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.37  1.0
  W  W2  1  0.0  0.14  0.3  1.0
  W  W3  1  0.62  0.0  0.06  1.0

data_SiPdW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.28
_cell_length_c   5.12
_cell_angle_alpha   114.67
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPdW2
_chemical_formula_sum   'Si1 Pd1 W2'
_cell_volume   60.46
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.63  0.63  0.63  1.0
  W  W2  1  0.56  0.94  0.56  1.0
  W  W3  1  0.7  0.84  0.84  1.0

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