data_NiSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Au
_chemical_formula_sum   'Ni1 Sb2 Au1'
_cell_volume   81.06
_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  Ni1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.63  0.85  0.69  1.0
  Sb  Sb3  1  0.63  0.15  0.69  1.0
  Au  Au0  1  0.25  0.0  0.0  1.0

data_NiSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   97.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Au
_chemical_formula_sum   'Ni1 Sb2 Au1'
_cell_volume   81.06
_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
  Sb  Sb1  1  0.69  0.63  0.15  1.0
  Sb  Sb2  1  0.69  0.63  0.85  1.0
  Au  Au3  1  0.0  0.25  0.0  1.0

Ni Sb Sb Au
Ni Sb Sb Au 0 3 o o o 1 2 o + o 