data_NiSnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   4.28
_cell_angle_alpha   110.18
_cell_angle_beta   110.18
_cell_angle_gamma   30.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnAu2
_chemical_formula_sum   'Ni1 Sn1 Au2'
_cell_volume   72.23
_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  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.03  0.0  1.0  1.0
  Au  Au0  1  0.26  0.0  0.2  1.0
  Au  Au1  1  0.8  0.0  0.8  1.0

data_NiSnAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.28
_cell_length_c   6.0
_cell_angle_alpha   110.18
_cell_angle_beta   105.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnAu2
_chemical_formula_sum   'Ni1 Sn1 Au2'
_cell_volume   72.23
_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  0.0  1.0
  Sn  Sn1  1  0.0  1.0  0.03  1.0
  Au  Au2  1  0.0  0.2  0.26  1.0
  Au  Au3  1  0.0  0.8  0.8  1.0

Ni Sn Au Au