data_Pt2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   3.68
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   94.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2PbW
_chemical_formula_sum   'Pt2 Pb1 W1'
_cell_volume   75.58
_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  0.95  0.84  0.68  1.0
  Pt  Pt2  1  0.4  0.84  0.42  1.0
  Pb  Pb0  1  0.73  0.0  0.55  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Pt2PbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.68
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   94.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2PbW
_chemical_formula_sum   'Pt2 Pb1 W1'
_cell_volume   75.58
_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  0.4  0.84  0.42  1.0
  Pt  Pt1  1  0.95  0.84  0.68  1.0
  Pb  Pb2  1  0.73  0.0  0.55  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Pt Pt Pb W