data_LaGa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   130.67
_cell_angle_beta   130.67
_cell_angle_gamma   72.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Hg
_chemical_formula_sum   'La1 Ga2 Hg1'
_cell_volume   96.48
_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
  La  La3  1  0.0  0.0  0.49  1.0
  Ga  Ga0  1  0.0  0.32  0.24  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.32  0.0  0.24  1.0

data_LaGa2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.56
_cell_angle_alpha   114.66
_cell_angle_beta   114.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Hg
_chemical_formula_sum   'La1 Ga2 Hg1'
_cell_volume   96.48
_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
  La  La0  1  0.49  0.49  0.49  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.92  0.24  0.92  1.0
  Hg  Hg3  1  0.24  0.92  0.92  1.0

La Ga Ga Hg
La Ga Ga Hg 0 1 o o o 0 1 o o + 0 1 o - o 0 3 - o o 0 3 o o o 0 3 o o + 0 2 o o o 0 2 o o + 1 2 o o o 2 3 o o o 
LaHgGa2 crystallizes in the triclinic P1 space group. La(1) is bonded in a 6-coordinate geometry to two equivalent Hg(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. There is one shorter (2.84 Å) and one longer (3.08 Å) La(1)-Hg(1) bond length. There is one shorter (2.84 Å) and one longer (3.08 Å) La(1)-Ga(1) bond length. There is one shorter (2.70 Å) and one longer (2.86 Å) La(1)-Ga(2) bond length. Hg(1) is bonded in a distorted single-bond geometry to two equivalent La(1) and one Ga(2) atom. The Hg(1)-Ga(2) bond length is 1.36 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 1-coordinate geometry to two equivalent La(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.36 Å. In the second Ga site, Ga(2) is bonded in a 1-coordinate geometry to two equivalent La(1), one Hg(1), and one Ga(1) atom.