data_YPPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPPt
_chemical_formula_sum   'Y2 P2 Pt2'
_cell_volume   115.62
_cell_formula_units_Z   2
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  Y4  1  0.0  0.0  0.93  1.0
  Y  Y5  1  0.0  0.0  0.0  1.0
  P  P0  1  0.0  0.38  0.96  1.0
  P  P1  1  0.06  0.19  0.89  1.0
  Pt  Pt2  1  0.06  0.19  0.96  1.0
  Pt  Pt3  1  0.0  0.38  0.89  1.0

data_YPPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPPt
_chemical_formula_sum   'Y2 P2 Pt2'
_cell_volume   115.62
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.0  0.93  1.0
  P  P2  1  -0.0  0.38  0.96  1.0
  P  P3  1  0.06  0.19  0.89  1.0
  Pt  Pt4  1  -0.0  0.38  0.89  1.0
  Pt  Pt5  1  0.06  0.19  0.96  1.0

Y Y P P Pt Pt
Y Y P P Pt Pt 0 1 o o + 2 5 o o o 3 4 o o o 