data_NiPPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPPt2
_chemical_formula_sum   'Ni1 P1 Pt2'
_cell_volume   57.48
_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
  Ni  Ni0  1  0.0  0.0  0.12  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.53  0.0  0.06  1.0
  Pt  Pt3  1  0.53  0.0  0.18  1.0

data_NiPPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPPt2
_chemical_formula_sum   'Ni1 P1 Pt2'
_cell_volume   57.48
_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
  Ni  Ni0  1  0.0  0.0  0.12  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.53  0.0  0.06  1.0
  Pt  Pt3  1  0.53  0.0  0.18  1.0

Ni P Pt Pt
Ni P Pt Pt 0 1 o o o 2 3 o o o 