data_CoNiSnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiSnHg
_chemical_formula_sum   'Co1 Ni1 Sn1 Hg1'
_cell_volume   66.08
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.6  0.6  0.6  1.0
  Sn  Sn3  1  0.21  0.21  0.21  1.0
  Hg  Hg1  1  0.81  0.81  0.81  1.0

data_CoNiSnHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoNiSnHg
_chemical_formula_sum   'Co3 Ni3 Sn3 Hg3'
_cell_volume   198.23
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Co  Co0  3  0.0  0.0  0.0  1.0
  Ni  Ni1  3  0.0  0.0  0.4  1.0
  Sn  Sn2  3  0.0  0.0  0.79  1.0
  Hg  Hg3  3  0.0  0.0  0.19  1.0

Co Ni Sn Hg
CoNiHgSn crystallizes in the trigonal R3m space group. Co(1) is bonded in a 2-coordinate geometry to three equivalent Ni(1), one Hg(1), and four equivalent Sn(1) atoms. All Co(1)-Ni(1) bond lengths are 2.71 Å. The Co(1)-Hg(1) bond length is 2.08 Å. There is one shorter (2.32 Å) and three longer (2.96 Å) Co(1)-Sn(1) bond lengths. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Co(1), four equivalent Hg(1), and three equivalent Sn(1) atoms. There is one shorter (2.32 Å) and three longer (2.96 Å) Ni(1)-Hg(1) bond lengths. All Ni(1)-Sn(1) bond lengths are 2.71 Å. Hg(1) is bonded in a 2-coordinate geometry to one Co(1), four equivalent Ni(1), and three equivalent Sn(1) atoms. All Hg(1)-Sn(1) bond lengths are 2.71 Å. Sn(1) is bonded in a 10-coordinate geometry to four equivalent Co(1), three equivalent Ni(1), and three equivalent Hg(1) atoms.