data_Pt3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3W
_chemical_formula_sum   'Pt12 W4'
_cell_volume   250.72
_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  0.6  0.42  0.0  1.0
  Pt  Pt1  1  0.6  0.42  0.63  1.0
  Pt  Pt2  1  0.0  0.58  0.94  1.0
  Pt  Pt3  1  0.57  0.06  0.94  1.0
  Pt  Pt4  1  0.36  0.79  0.31  1.0
  Pt  Pt5  1  0.8  0.0  0.0  1.0
  Pt  Pt6  1  0.8  0.0  0.63  1.0
  Pt  Pt7  1  0.4  0.42  0.0  1.0
  Pt  Pt8  1  0.4  0.42  0.63  1.0
  Pt  Pt9  1  0.43  0.06  0.94  1.0
  Pt  Pt10  1  0.23  0.79  0.31  1.0
  Pt  Pt11  1  0.8  0.27  0.31  1.0
  W  W12  1  0.0  0.0  0.0  1.0
  W  W13  1  0.0  0.0  0.63  1.0
  W  W14  1  0.0  0.23  0.31  1.0
  W  W15  1  0.8  0.61  0.94  1.0

data_Pt3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3W
_chemical_formula_sum   'Pt12 W4'
_cell_volume   250.72
_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  0.0  0.58  0.94  1.0
  Pt  Pt1  1  0.23  0.79  0.31  1.0
  Pt  Pt2  1  0.36  0.79  0.31  1.0
  Pt  Pt3  1  0.4  0.42  0.0  1.0
  Pt  Pt4  1  0.4  0.42  0.63  1.0
  Pt  Pt5  1  0.43  0.06  0.94  1.0
  Pt  Pt6  1  0.57  0.06  0.94  1.0
  Pt  Pt7  1  0.6  0.42  0.0  1.0
  Pt  Pt8  1  0.6  0.42  0.63  1.0
  Pt  Pt9  1  0.8  0.0  0.0  1.0
  Pt  Pt10  1  0.8  0.0  0.63  1.0
  Pt  Pt11  1  0.8  0.27  0.31  1.0
  W  W12  1  0.0  0.0  0.0  1.0
  W  W13  1  0.0  0.0  0.63  1.0
  W  W14  1  0.0  0.23  0.31  1.0
  W  W15  1  0.8  0.61  0.94  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 7 o o o 0 15 o o - 1 8 o o o 2 15 - o o 3 9 o o o 4 10 o o o 5 12 + o o 6 13 + o o 11 14 + o o 