data_LaBeGaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeGaHg
_chemical_formula_sum   'La1 Be1 Ga1 Hg1'
_cell_volume   84.15
_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  0.22  0.22  0.22  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.48  0.48  0.48  1.0
  Hg  Hg2  1  0.74  0.74  0.74  1.0

data_LaBeGaHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   12.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaBeGaHg
_chemical_formula_sum   'La3 Be3 Ga3 Hg3'
_cell_volume   252.45
_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
  La  La0  3  0.0  0.0  0.78  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Ga  Ga2  3  0.0  0.0  0.52  1.0
  Hg  Hg3  3  0.0  0.0  0.26  1.0

La Be Ga Hg
La Be Ga Hg 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 0 2 o o o 1 3 - - - 1 3 - - o 1 3 - o - 1 3 o - - 1 2 - o o 1 2 o - o 1 2 o o - 2 3 - o o 2 3 o - o 2 3 o o - 2 3 o o o 
BeLaHgGa crystallizes in the trigonal R3m space group. Be(1) is bonded in a 7-coordinate geometry to four equivalent La(1) and three equivalent Hg(1) atoms. There is one shorter (2.62 Å) and three longer (3.17 Å) Be(1)-La(1) bond lengths. All Be(1)-Hg(1) bond lengths are 2.97 Å. La(1) is bonded in a 14-coordinate geometry to four equivalent Be(1), six equivalent Hg(1), and four equivalent Ga(1) atoms. There are three shorter (3.33 Å) and three longer (3.64 Å) La(1)-Hg(1) bond lengths. There are three shorter (2.97 Å) and one longer (3.14 Å) La(1)-Ga(1) bond length. Hg(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), six equivalent La(1), and four equivalent Ga(1) atoms. There are three shorter (2.97 Å) and one longer (3.14 Å) Hg(1)-Ga(1) bond length. Ga(1) is bonded in a body-centered cubic geometry to four equivalent La(1) and four equivalent Hg(1) atoms.