data_PPt2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPt2W
_chemical_formula_sum   'P1 Pt2 W1'
_cell_volume   61.12
_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
  P  P0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.31  0.93  0.4  1.0
  Pt  Pt2  1  0.31  0.07  0.4  1.0
  W  W3  1  0.63  0.0  0.0  1.0

data_PPt2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   115.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPt2W
_chemical_formula_sum   'P1 Pt2 W1'
_cell_volume   61.12
_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
  P  P0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.4  0.31  0.07  1.0
  Pt  Pt2  1  0.4  0.31  0.93  1.0
  W  W3  1  0.0  0.63  0.0  1.0

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