data_ZrMnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.25
_cell_angle_alpha   110.0
_cell_angle_beta   110.0
_cell_angle_gamma   31.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnPb2
_chemical_formula_sum   'Zr1 Mn1 Pb2'
_cell_volume   93.14
_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  0.56  0.0  0.69  1.0
  Mn  Mn0  1  0.4  0.0  1.0  1.0
  Pb  Pb1  1  0.01  0.0  0.33  1.0
  Pb  Pb2  1  0.49  0.0  0.35  1.0

data_ZrMnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.25
_cell_length_c   5.99
_cell_angle_alpha   110.0
_cell_angle_beta   105.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnPb2
_chemical_formula_sum   'Zr1 Mn1 Pb2'
_cell_volume   93.14
_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  0.69  0.56  1.0
  Mn  Mn1  1  0.0  1.0  0.4  1.0
  Pb  Pb2  1  0.0  0.33  0.01  1.0
  Pb  Pb3  1  0.0  0.35  0.49  1.0

Zr Mn Pb Pb
ZrMnPb2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a distorted single-bond geometry to one Mn(1), one Pb(2), and three equivalent Pb(1) atoms. The Zr(1)-Mn(1) bond length is 2.14 Å. The Zr(1)-Pb(2) bond length is 1.69 Å. There are a spread of Zr(1)-Pb(1) bond distances ranging from 3.21-3.77 Å. Mn(1) is bonded in a 2-coordinate geometry to one Zr(1), one Pb(2), and three equivalent Pb(1) atoms. The Mn(1)-Pb(2) bond length is 1.75 Å. There are a spread of Mn(1)-Pb(1) bond distances ranging from 3.38-3.50 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Mn(1), two equivalent Pb(1), and two equivalent Pb(2) atoms. Both Pb(1)-Pb(1) bond lengths are 3.30 Å. There is one shorter (2.83 Å) and one longer (3.16 Å) Pb(1)-Pb(2) bond length. In the second Pb site, Pb(2) is bonded in a linear geometry to one Zr(1), one Mn(1), and two equivalent Pb(1) atoms.