data_GaCuHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuHg2
_chemical_formula_sum   'Ga1 Cu1 Hg2'
_cell_volume   79.69
_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  0.47  0.47  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.47  0.0  0.64  1.0
  Hg  Hg3  1  0.0  0.47  0.64  1.0

data_GaCuHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaCuHg2
_chemical_formula_sum   'Ga2 Cu2 Hg4'
_cell_volume   159.37
_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  0.47  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  4  0.23  0.23  0.64  1.0

Ga Cu Hg Hg
Ga Cu Hg Hg 0 1 o o o 0 3 o o - 0 3 o o o 0 3 + o - 0 3 + o o 0 2 o o - 0 2 o o o 0 2 o + - 0 2 o + o 0 0 o o + 1 2 - o - 1 2 - o o 1 2 o o - 1 2 o o o 1 3 o - - 1 3 o - o 1 3 o o - 1 3 o o o 1 1 o o + 2 3 o o o 2 2 o o + 3 3 o o + 
CuHg2Ga crystallizes in the monoclinic Cm space group. Cu(1) is bonded in a 6-coordinate geometry to six equivalent Hg(1) atoms. There are a spread of Cu(1)-Hg(1) bond distances ranging from 2.58-3.11 Å. Hg(1) is bonded in a 6-coordinate geometry to three equivalent Cu(1) and three equivalent Ga(1) atoms. There are a spread of Hg(1)-Ga(1) bond distances ranging from 2.58-3.11 Å. Ga(1) is bonded in a 6-coordinate geometry to six equivalent Hg(1) atoms.