data_GaCoHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   149.96
_cell_angle_beta   149.96
_cell_angle_gamma   42.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoHg
_chemical_formula_sum   'Ga1 Co1 Hg1'
_cell_volume   48.77
_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
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.55  1.0
  Hg  Hg2  1  0.0  0.0  0.04  1.0

data_GaCoHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   111.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaCoHg
_chemical_formula_sum   'Ga2 Co2 Hg2'
_cell_volume   97.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ga  Ga0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.05  0.5  0.55  1.0
  Hg  Hg2  2  0.04  0.0  0.04  1.0

Ga Co Hg
Ga Co Hg 0 2 o o o 0 1 + o o 0 1 o + o 0 1 o o o 0 1 o o - 1 1 + o + 1 1 o + + 1 2 o o o 1 2 o o + 
CoHgGa crystallizes in the monoclinic Cm space group. Co(1) is bonded in a 6-coordinate geometry to four equivalent Co(1), one Hg(1), and one Ga(1) atom. All Co(1)-Co(1) bond lengths are 3.01 Å. The Co(1)-Hg(1) bond length is 2.92 Å. The Co(1)-Ga(1) bond length is 2.64 Å. Hg(1) is bonded in a single-bond geometry to one Co(1) and one Ga(1) atom. The Hg(1)-Ga(1) bond length is 0.24 Å. Ga(1) is bonded in a single-bond geometry to one Co(1) and one Hg(1) atom.