data_Cr2HgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   153.23
_cell_angle_beta   136.77
_cell_angle_gamma   51.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2HgTe
_chemical_formula_sum   'Cr2 Hg1 Te1'
_cell_volume   79.19
_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  0.34  0.42  1.0
  Cr  Cr1  1  0.0  0.0  0.58  1.0
  Hg  Hg2  1  0.47  0.0  0.54  1.0
  Te  Te3  1  0.0  0.0  0.38  1.0

data_Cr2HgTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.69
_cell_length_c   6.36
_cell_angle_alpha   111.62
_cell_angle_beta   103.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2HgTe
_chemical_formula_sum   'Cr2 Hg1 Te1'
_cell_volume   79.19
_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  0.58  0.58  1.0
  Cr  Cr1  1  0.66  0.08  0.08  1.0
  Hg  Hg2  1  0.0  0.54  0.07  1.0
  Te  Te3  1  0.0  0.38  0.38  1.0

Cr Cr Hg Te
Cr2HgTe crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to four equivalent Hg(1) and one Te(1) atom. There are a spread of Cr(1)-Hg(1) bond distances ranging from 2.43-3.15 Å. The Cr(1)-Te(1) bond length is 1.95 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Hg(1) and one Te(1) atom. The Cr(2)-Hg(1) bond length is 3.19 Å. The Cr(2)-Te(1) bond length is 1.24 Å. Hg(1) is bonded in a 8-coordinate geometry to one Cr(2), four equivalent Cr(1), two equivalent Hg(1), and one Te(1) atom. Both Hg(1)-Hg(1) bond lengths are 2.95 Å. The Hg(1)-Te(1) bond length is 2.37 Å. Te(1) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), and one Hg(1) atom.