data_Ta2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RuPb
_chemical_formula_sum   'Ta2 Ru1 Pb1'
_cell_volume   78.2
_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
  Ta  Ta2  1  0.59  0.59  0.57  1.0
  Ta  Ta3  1  0.0  0.0  0.67  1.0
  Ru  Ru1  1  0.0  0.0  0.19  1.0
  Pb  Pb0  1  0.59  0.59  0.01  1.0

data_Ta2RuPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2RuPb
_chemical_formula_sum   'Ta4 Ru2 Pb2'
_cell_volume   156.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.0  0.0  0.67  1.0
  Ta  Ta1  2  0.09  0.5  0.57  1.0
  Ru  Ru2  2  0.0  0.0  0.19  1.0
  Pb  Pb3  2  0.09  0.5  0.01  1.0

Ta Ta Ru Pb
Ta2RuPb crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to four equivalent Ta(2), three equivalent Ru(1), and one Pb(1) atom. There are a spread of Ta(1)-Ta(2) bond distances ranging from 2.01-2.74 Å. There is one shorter (3.48 Å) and two longer (3.72 Å) Ta(1)-Ru(1) bond lengths. The Ta(1)-Pb(1) bond length is 3.44 Å. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to four equivalent Ta(1) atoms. Ru(1) is bonded in a 3-coordinate geometry to three equivalent Ta(1) and three equivalent Pb(1) atoms. There is one shorter (2.32 Å) and two longer (2.66 Å) Ru(1)-Pb(1) bond lengths. Pb(1) is bonded in a 1-coordinate geometry to one Ta(1) and three equivalent Ru(1) atoms.