data_YGaCoHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaCoHg
_chemical_formula_sum   'Y1 Ga1 Co1 Hg1'
_cell_volume   76.12
_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
  Y  Y3  1  0.05  0.05  0.05  1.0
  Ga  Ga1  1  0.36  0.36  0.36  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.68  0.68  0.68  1.0

data_YGaCoHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   11.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YGaCoHg
_chemical_formula_sum   'Y3 Ga3 Co3 Hg3'
_cell_volume   228.37
_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
  Y  Y0  3  0.0  0.0  0.95  1.0
  Ga  Ga1  3  0.0  0.0  0.64  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Hg  Hg3  3  0.0  0.0  0.32  1.0

Y Ga Co Hg
Y Ga Co Hg 0 2 o o o 0 1 o o - 0 1 o - o 0 1 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o - - 2 3 - o - 2 3 - - o 
YCoHgGa crystallizes in the trigonal R3m space group. Y(1) is bonded in a single-bond geometry to one Co(1), three equivalent Hg(1), and four equivalent Ga(1) atoms. The Y(1)-Co(1) bond length is 0.53 Å. All Y(1)-Hg(1) bond lengths are 2.77 Å. There are three shorter (2.75 Å) and one longer (3.71 Å) Y(1)-Ga(1) bond length. Co(1) is bonded in a single-bond geometry to one Y(1), three equivalent Hg(1), and three equivalent Ga(1) atoms. All Co(1)-Hg(1) bond lengths are 2.75 Å. All Co(1)-Ga(1) bond lengths are 2.77 Å. Hg(1) is bonded in a distorted q6 geometry to three equivalent Y(1), three equivalent Co(1), and three equivalent Ga(1) atoms. All Hg(1)-Ga(1) bond lengths are 2.75 Å. Ga(1) is bonded in a 10-coordinate geometry to four equivalent Y(1), three equivalent Co(1), and three equivalent Hg(1) atoms.