data_Cr2CuHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.05
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   93.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuHg
_chemical_formula_sum   'Cr2 Cu1 Hg1'
_cell_volume   56.71
_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  0.1  0.0  0.35  1.0
  Cr  Cr1  1  0.28  0.52  0.43  1.0
  Cu  Cu2  1  0.76  0.0  0.94  1.0
  Hg  Hg3  1  0.23  0.52  0.66  1.0

data_Cr2CuHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.05
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   93.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuHg
_chemical_formula_sum   'Cr2 Cu1 Hg1'
_cell_volume   56.71
_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  0.1  0.0  0.35  1.0
  Cr  Cr1  1  0.28  0.52  0.43  1.0
  Cu  Cu2  1  0.76  0.0  0.94  1.0
  Hg  Hg3  1  0.23  0.52  0.66  1.0

Cr Cr Cu Hg
Cr Cr Cu Hg 0 1 o - o 0 1 o o o 0 2 o o - 0 2 - o - 1 3 o o o 2 3 o - o 2 3 o o o 2 3 + - o 2 3 + o o 2 2 + o o 2 2 o + o 
Cr2CuHg crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to two equivalent Cr(2) and two equivalent Cu(1) atoms. There is one shorter (1.61 Å) and one longer (1.74 Å) Cr(1)-Cr(2) bond length. There is one shorter (2.70 Å) and one longer (3.32 Å) Cr(1)-Cu(1) bond length. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to two equivalent Cr(1) and one Hg(1) atom. The Cr(2)-Hg(1) bond length is 1.47 Å. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Cr(1), four equivalent Cu(1), and four equivalent Hg(1) atoms. There are two shorter (2.98 Å) and two longer (3.05 Å) Cu(1)-Cu(1) bond lengths. There are a spread of Cu(1)-Hg(1) bond distances ranging from 2.71-2.80 Å. Hg(1) is bonded in a single-bond geometry to one Cr(2) and four equivalent Cu(1) atoms.