data_P3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.6
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Pt
_chemical_formula_sum   'P3 Pt1'
_cell_volume   65.58
_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
  P  P0  1  0.63  0.0  0.35  1.0
  P  P1  1  0.0  0.0  0.66  1.0
  P  P2  1  0.0  0.3  0.64  1.0
  Pt  Pt3  1  0.63  0.3  0.64  1.0

data_P3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.37
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Pt
_chemical_formula_sum   'P3 Pt1'
_cell_volume   65.58
_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
  P  P0  1  0.0  0.34  0.0  1.0
  P  P1  1  0.0  0.36  0.7  1.0
  P  P2  1  0.37  0.65  0.0  1.0
  Pt  Pt3  1  0.37  0.36  0.7  1.0

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