data_As2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   6.53
_cell_angle_alpha   105.91
_cell_angle_beta   105.91
_cell_angle_gamma   44.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuPb
_chemical_formula_sum   'As2 Ru1 Pb1'
_cell_volume   89.12
_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
  As  As0  1  0.05  0.0  0.37  1.0
  As  As1  1  0.14  0.0  0.3  1.0
  Ru  Ru3  1  0.12  0.0  0.76  1.0
  Pb  Pb2  1  0.79  0.0  0.16  1.0

data_As2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.52
_cell_length_c   6.53
_cell_angle_alpha   105.91
_cell_angle_beta   90.0
_cell_angle_gamma   112.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuPb
_chemical_formula_sum   'As2 Ru1 Pb1'
_cell_volume   89.12
_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
  As  As0  1  0.0  0.86  0.7  1.0
  As  As1  1  0.0  0.95  0.63  1.0
  Ru  Ru2  1  0.0  0.88  0.24  1.0
  Pb  Pb3  1  0.0  0.21  0.84  1.0

As As Ru Pb
As As Ru Pb 0 1 o o o 0 2 o o o 0 3 - o o 1 2 o o o 1 3 - o o 
RuPbAs2 crystallizes in the triclinic P1 space group. Ru(1) is bonded in a 5-coordinate geometry to two equivalent Ru(1), two equivalent Pb(1), and one As(1) atom. Both Ru(1)-Ru(1) bond lengths are 3.41 Å. There is one shorter (3.32 Å) and one longer (3.43 Å) Ru(1)-Pb(1) bond length. The Ru(1)-As(1) bond length is 2.50 Å. Pb(1) is bonded in a 2-coordinate geometry to two equivalent Ru(1), one As(1), and one As(2) atom. The Pb(1)-As(1) bond length is 1.54 Å. The Pb(1)-As(2) bond length is 1.60 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to one Ru(1), one Pb(1), and one As(2) atom. The As(1)-As(2) bond length is 0.66 Å. In the second As site, As(2) is bonded in a 2-coordinate geometry to one Pb(1) and one As(1) atom.