data_NaAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAs2Au
_chemical_formula_sum   'Na1 As2 Au1'
_cell_volume   77.9
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.51  0.23  0.45  1.0
  As  As1  1  0.51  0.77  0.45  1.0
  Au  Au2  1  0.03  0.0  0.0  1.0

data_NaAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   111.61
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAs2Au
_chemical_formula_sum   'Na1 As2 Au1'
_cell_volume   77.9
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.45  0.51  0.23  1.0
  As  As2  1  0.45  0.51  0.77  1.0
  Au  Au3  1  0.0  0.03  0.0  1.0

Na As As Au
Na As As Au 0 3 o o o 0 1 o o o 0 1 o o - 0 2 - - o 0 2 - - - 1 3 o o o 1 3 o o + 1 2 o o o 1 2 o - o 1 1 o o + 2 3 + + o 2 3 + + + 2 2 o o + 
NaAuAs2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a single-bond geometry to one Au(1) and two equivalent As(2) atoms. The Na(1)-Au(1) bond length is 0.14 Å. There is one shorter (2.77 Å) and one longer (2.93 Å) Na(1)-As(2) bond length. Au(1) is bonded in a single-bond geometry to one Na(1) and two equivalent As(1) atoms. There is one shorter (2.77 Å) and one longer (2.93 Å) Au(1)-As(1) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to two equivalent Au(1) and two equivalent As(2) atoms. There is one shorter (2.44 Å) and one longer (2.95 Å) As(1)-As(2) bond length. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent As(1), and two equivalent As(2) atoms. Both As(2)-As(2) bond lengths are 2.89 Å.