data_AlPPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18
_cell_length_b   3.91
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPPt
_chemical_formula_sum   'Al4 P4 Pt4'
_cell_volume   229.57
_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
  Al  Al0  1  0.91  0.94  0.49  1.0
  Al  Al1  1  0.19  0.98  0.9  1.0
  Al  Al2  1  0.28  0.98  0.68  1.0
  Al  Al3  1  1.0  0.94  0.27  1.0
  P  P4  1  0.51  0.94  0.29  1.0
  P  P5  1  0.59  0.98  0.87  1.0
  P  P6  1  0.68  0.98  0.88  1.0
  P  P7  1  0.6  0.94  0.3  1.0
  Pt  Pt8  1  0.48  0.94  0.45  1.0
  Pt  Pt9  1  0.61  0.98  0.86  1.0
  Pt  Pt10  1  0.7  0.98  0.72  1.0
  Pt  Pt11  1  0.57  0.94  0.31  1.0

data_AlPPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.91
_cell_length_b   7.17
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlPPt
_chemical_formula_sum   'Al4 P4 Pt4'
_cell_volume   229.57
_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
  Al  Al0  2  0.48  0.18  0.91  1.0
  Al  Al1  2  0.48  0.4  0.81  1.0
  P  P2  2  0.48  0.21  0.51  1.0
  P  P3  2  0.48  0.2  0.41  1.0
  Pt  Pt4  2  0.48  0.22  0.48  1.0
  Pt  Pt5  2  0.48  0.36  0.39  1.0

Al Al Al Al P P P P Pt Pt Pt Pt
Al Al Al Al P P P P Pt Pt Pt Pt 0 3 o o o 1 2 o o o 4 11 o o o 4 8 o o o 5 9 o o o 6 9 o o o 6 10 o o o 7 11 o o o 8 11 o o o 9 10 o o o 