data_CrHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   149.02
_cell_angle_beta   128.68
_cell_angle_gamma   61.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHg2Pb
_chemical_formula_sum   'Cr1 Hg2 Pb1'
_cell_volume   96.0
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.69  0.02  1.0
  Hg  Hg2  1  0.66  0.0  0.34  1.0
  Pb  Pb3  1  0.0  0.0  0.36  1.0

data_CrHg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.39
_cell_length_c   6.22
_cell_angle_alpha   115.66
_cell_angle_beta   105.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHg2Pb
_chemical_formula_sum   'Cr1 Hg2 Pb1'
_cell_volume   96.0
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.32  0.66  0.32  1.0
  Hg  Hg2  1  0.98  0.68  0.68  1.0
  Pb  Pb3  1  0.64  0.64  0.64  1.0

Cr Hg Hg Pb
CrHg2Pb crystallizes in the triclinic P1 space group. Cr(1) is bonded in a 4-coordinate geometry to one Hg(1), two equivalent Hg(2), and one Pb(1) atom. The Cr(1)-Hg(1) bond length is 1.98 Å. There is one shorter (3.23 Å) and one longer (3.25 Å) Cr(1)-Hg(2) bond length. The Cr(1)-Pb(1) bond length is 2.22 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one Cr(1) and two equivalent Pb(1) atoms. There is one shorter (1.10 Å) and one longer (2.26 Å) Hg(1)-Pb(1) bond length. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to two equivalent Cr(1) and one Pb(1) atom. The Hg(2)-Pb(1) bond length is 2.04 Å. Pb(1) is bonded in a 4-coordinate geometry to one Cr(1), one Hg(2), and two equivalent Hg(1) atoms.