data_NiAg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.48
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2Au
_chemical_formula_sum   'Ni1 Ag2 Au1'
_cell_volume   65.08
_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  Ni3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.24  0.28  1.0
  Ag  Ag1  1  0.59  0.0  0.28  1.0
  Au  Au2  1  0.59  0.24  0.0  1.0

data_NiAg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.48
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2Au
_chemical_formula_sum   'Ni1 Ag2 Au1'
_cell_volume   65.08
_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
  Ag  Ag1  1  0.0  0.24  0.28  1.0
  Ag  Ag2  1  0.59  0.0  0.28  1.0
  Au  Au3  1  0.59  0.24  -0.0  1.0

Ni Ag Ag Au
Ni Ag Ag Au 0 2 - o o 0 3 - o o 0 1 o o o 1 2 - o o 1 3 - o o 2 3 o o o 