data_YPPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.94
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPPt2
_chemical_formula_sum   'Y1 P1 Pt2'
_cell_volume   81.03
_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
  Y  Y3  1  0.93  0.0  0.66  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.97  0.34  1.0
  Pt  Pt2  1  0.0  0.97  0.98  1.0

data_YPPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.94
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPPt2
_chemical_formula_sum   'Y1 P1 Pt2'
_cell_volume   81.03
_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
  Y  Y0  1  0.93  0.0  0.66  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.97  0.34  1.0
  Pt  Pt3  1  0.0  0.97  0.98  1.0

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