data_NiSnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   4.15
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   101.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnAu2
_chemical_formula_sum   'Ni1 Sn1 Au2'
_cell_volume   72.01
_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  0.51  0.0  0.86  1.0
  Sn  Sn3  1  1.0  0.07  0.61  1.0
  Au  Au0  1  0.13  0.0  0.19  1.0
  Au  Au1  1  0.8  0.07  0.21  1.0

data_NiSnAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.15
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   101.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnAu2
_chemical_formula_sum   'Ni1 Sn1 Au2'
_cell_volume   72.01
_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  0.51  0.0  0.86  1.0
  Sn  Sn1  1  1.0  0.07  0.61  1.0
  Au  Au2  1  0.13  0.0  0.19  1.0
  Au  Au3  1  0.8  0.07  0.21  1.0

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