data_PdPbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   141.26
_cell_angle_beta   126.91
_cell_angle_gamma   67.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPbW2
_chemical_formula_sum   'Pd1 Pb1 W2'
_cell_volume   72.29
_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  Pd1  1  0.0  0.0  0.59  1.0
  Pb  Pb0  1  0.0  0.36  0.02  1.0
  W  W2  1  0.75  0.0  0.14  1.0
  W  W3  1  0.0  0.0  0.02  1.0

data_PdPbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.71
_cell_length_c   5.27
_cell_angle_alpha   116.55
_cell_angle_beta   109.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPbW2
_chemical_formula_sum   'Pd1 Pb1 W2'
_cell_volume   72.29
_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  0.41  0.41  0.41  1.0
  Pb  Pb1  1  0.98  0.34  0.34  1.0
  W  W2  1  0.61  0.86  0.61  1.0
  W  W3  1  0.98  0.98  0.98  1.0

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