data_ZrMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.82
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   95.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMo2Pb
_chemical_formula_sum   'Zr1 Mo2 Pb1'
_cell_volume   81.44
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.97  0.41  0.11  1.0
  Mo  Mo1  1  0.57  0.41  0.36  1.0
  Pb  Pb2  1  0.27  0.0  0.74  1.0

data_ZrMo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.82
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   95.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMo2Pb
_chemical_formula_sum   'Zr1 Mo2 Pb1'
_cell_volume   81.44
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.57  0.41  0.36  1.0
  Mo  Mo2  1  0.97  0.41  0.11  1.0
  Pb  Pb3  1  0.27  0.0  0.74  1.0

Zr Mo Mo Pb
Zr Mo Mo Pb 0 1 - o o 0 3 o o - 1 2 o o o 1 2 + o o 
ZrMo2Pb crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Pb(1) atoms. There is one shorter (2.07 Å) and one longer (2.91 Å) Zr(1)-Mo(1) bond length. There is one shorter (1.75 Å) and one longer (2.55 Å) Zr(1)-Pb(1) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to two equivalent Zr(1) and two equivalent Mo(2) atoms. There is one shorter (1.95 Å) and one longer (2.18 Å) Mo(1)-Mo(2) bond length. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Pb(1) atom. The Mo(2)-Pb(1) bond length is 3.06 Å. Pb(1) is bonded in a distorted single-bond geometry to two equivalent Zr(1) and one Mo(2) atom.