data_SrNb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   6.7
_cell_angle_alpha   100.52
_cell_angle_beta   100.52
_cell_angle_gamma   38.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Au
_chemical_formula_sum   'Sr1 Nb2 Au1'
_cell_volume   100.9
_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  0.96  0.0  0.12  1.0
  Nb  Nb1  1  0.83  0.0  0.18  1.0
  Nb  Nb2  1  0.43  0.0  0.82  1.0
  Au  Au0  1  0.53  0.0  0.32  1.0

data_SrNb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.95
_cell_length_c   6.7
_cell_angle_alpha   100.52
_cell_angle_beta   90.0
_cell_angle_gamma   109.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNb2Au
_chemical_formula_sum   'Sr1 Nb2 Au1'
_cell_volume   100.9
_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  0.0  0.04  0.88  1.0
  Nb  Nb1  1  0.0  0.17  0.82  1.0
  Nb  Nb2  1  0.0  0.57  0.18  1.0
  Au  Au3  1  0.0  0.47  0.68  1.0

Sr Nb Nb Au
Sr Nb Nb Au 0 1 o o o 0 2 + o - 0 2 o o - 1 2 o o - 1 3 o o o 2 2 + - o 2 3 o o o 2 3 o o + 