data_Pt3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   9.12
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3W
_chemical_formula_sum   'Pt12 W4'
_cell_volume   250.9
_cell_formula_units_Z   4
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  0.43  0.28  1.0  1.0
  Pt  Pt1  1  0.15  0.06  0.11  1.0
  Pt  Pt2  1  0.15  0.5  0.11  1.0
  Pt  Pt3  1  0.28  0.62  0.95  1.0
  Pt  Pt4  1  0.28  0.06  0.95  1.0
  Pt  Pt5  1  0.84  0.84  0.16  1.0
  Pt  Pt6  1  0.01  0.28  0.52  1.0
  Pt  Pt7  1  0.57  0.06  0.73  1.0
  Pt  Pt8  1  0.57  0.5  0.73  1.0
  Pt  Pt9  1  0.7  0.62  0.57  1.0
  Pt  Pt10  1  0.7  0.06  0.57  1.0
  Pt  Pt11  1  0.42  0.84  0.68  1.0
  W  W12  1  0.41  0.84  0.49  1.0
  W  W13  1  0.01  0.28  0.65  1.0
  W  W14  1  0.84  0.84  0.03  1.0
  W  W15  1  0.43  0.28  0.19  1.0

data_Pt3W
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.85
_cell_length_b   5.68
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pt3W
_chemical_formula_sum   'Pt12 W4'
_cell_volume   250.9
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.08  0.68  0.72  1.0
  Pt  Pt1  2  0.22  0.27  0.5  1.0
  Pt  Pt2  2  0.22  0.27  0.94  1.0
  Pt  Pt3  2  0.35  0.11  0.06  1.0
  Pt  Pt4  2  0.35  0.11  0.5  1.0
  Pt  Pt5  2  0.49  0.84  0.28  1.0
  W  W6  2  0.09  0.81  0.72  1.0
  W  W7  2  0.49  0.65  0.28  1.0

Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt W W W W
Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt W W W W 0 15 o o + 1 4 o o - 2 3 o o - 5 14 o o o 6 13 o o o 7 10 o o o 8 9 o o o 11 12 o o o 