data_Zr2CrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   4.87
_cell_angle_alpha   113.53
_cell_angle_beta   113.53
_cell_angle_gamma   34.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrPb
_chemical_formula_sum   'Zr2 Cr1 Pb1'
_cell_volume   82.07
_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  Zr2  1  0.81  0.0  0.42  1.0
  Zr  Zr3  1  0.89  0.0  0.21  1.0
  Cr  Cr0  1  0.52  0.0  0.16  1.0
  Pb  Pb1  1  0.89  0.0  0.26  1.0

data_Zr2CrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.87
_cell_length_c   5.7
_cell_angle_alpha   113.53
_cell_angle_beta   107.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrPb
_chemical_formula_sum   'Zr2 Cr1 Pb1'
_cell_volume   82.07
_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  0.21  0.89  1.0
  Zr  Zr1  1  0.0  0.42  0.81  1.0
  Cr  Cr2  1  0.0  0.16  0.52  1.0
  Pb  Pb3  1  0.0  0.26  0.89  1.0

Zr Zr Cr Pb
Zr Zr Cr Pb 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
Zr2CrPb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2CrPb cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Pb(1) atom. The Zr(1)-Cr(1) bond length is 1.64 Å. The Zr(1)-Pb(1) bond length is 1.01 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Pb(1) atom. The Zr(2)-Pb(1) bond length is 0.27 Å. Cr(1) is bonded in a distorted single-bond geometry to one Zr(1) atom. Pb(1) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one Zr(2) atom.