data_TaP2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.31
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   92.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP2Pb
_chemical_formula_sum   'Ta1 P2 Pb1'
_cell_volume   75.77
_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
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  P  P0  1  0.64  0.65  0.23  1.0
  P  P1  1  0.38  0.65  0.71  1.0
  Pb  Pb2  1  0.86  0.0  0.47  1.0

data_TaP2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.31
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   92.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP2Pb
_chemical_formula_sum   'Ta1 P2 Pb1'
_cell_volume   75.77
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.38  0.65  0.71  1.0
  P  P2  1  0.64  0.65  0.23  1.0
  Pb  Pb3  1  0.86  0.0  0.47  1.0

Ta P P Pb
TaPbP2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 1-coordinate geometry to one P(1) and three equivalent P(2) atoms. The Ta(1)-P(1) bond length is 2.34 Å. There are a spread of Ta(1)-P(2) bond distances ranging from 2.67-3.24 Å. Pb(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(2) atoms. There is one shorter (2.12 Å) and one longer (2.81 Å) Pb(1)-P(1) bond length. There is one shorter (2.60 Å) and one longer (2.61 Å) Pb(1)-P(2) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Ta(1) and two equivalent Pb(1) atoms. In the second P site, P(2) is bonded in a 5-coordinate geometry to three equivalent Ta(1) and two equivalent Pb(1) atoms.