data_SrNiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   134.91
_cell_angle_beta   120.49
_cell_angle_gamma   77.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiAu2
_chemical_formula_sum   'Sr1 Ni1 Au2'
_cell_volume   87.77
_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
  Sr  Sr3  1  0.0  0.0  0.12  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.03  0.0  0.64  1.0
  Au  Au1  1  0.0  0.63  0.48  1.0

data_SrNiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   5.25
_cell_length_c   5.29
_cell_angle_alpha   119.75
_cell_angle_beta   112.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiAu2
_chemical_formula_sum   'Sr1 Ni1 Au2'
_cell_volume   87.77
_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
  Sr  Sr0  1  0.88  0.88  0.88  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.38  0.36  0.38  1.0
  Au  Au3  1  0.52  0.15  0.15  1.0

Sr Ni Au Au