data_NiPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.77
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   91.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPtAu2
_chemical_formula_sum   'Ni1 Pt1 Au2'
_cell_volume   63.53
_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  Ni2  1  0.74  0.0  0.07  1.0
  Pt  Pt3  1  0.28  0.88  0.3  1.0
  Au  Au0  1  0.84  0.0  0.89  1.0
  Au  Au1  1  0.4  0.88  0.58  1.0

data_NiPtAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.77
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   91.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPtAu2
_chemical_formula_sum   'Ni1 Pt1 Au2'
_cell_volume   63.53
_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  0.74  0.0  0.07  1.0
  Pt  Pt1  1  0.28  0.88  0.3  1.0
  Au  Au2  1  0.4  0.88  0.58  1.0
  Au  Au3  1  0.84  0.0  0.89  1.0

Ni Pt Au Au
Ni Pt Au Au 0 2 o o - 0 1 + - o 0 1 o - o 1 3 o o o 