data_Pt2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   3.94
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2PbW
_chemical_formula_sum   'Pt2 Pb1 W1'
_cell_volume   73.76
_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
  Pt  Pt1  1  0.0  0.0  0.18  1.0
  Pt  Pt2  1  0.47  0.97  0.7  1.0
  Pb  Pb0  1  0.47  0.97  0.85  1.0
  W  W3  1  0.0  0.0  0.85  1.0

data_Pt2PbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.94
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2PbW
_chemical_formula_sum   'Pt2 Pb1 W1'
_cell_volume   73.76
_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
  Pt  Pt0  1  0.0  0.0  0.18  1.0
  Pt  Pt1  1  0.47  0.97  0.7  1.0
  Pb  Pb2  1  0.47  0.97  0.85  1.0
  W  W3  1  0.0  0.0  0.85  1.0

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