data_La(HgGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   135.07
_cell_angle_beta   135.07
_cell_angle_gamma   65.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La(HgGe)2
_chemical_formula_sum   'La1 Hg2 Ge2'
_cell_volume   124.14
_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  La4  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.68  1.0
  Hg  Hg3  1  0.0  0.0  0.96  1.0
  Ge  Ge0  1  0.0  0.42  0.66  1.0
  Ge  Ge1  1  0.42  0.0  0.66  1.0

data_La(HgGe)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   122.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La(HgGe)2
_chemical_formula_sum   'La2 Hg4 Ge4'
_cell_volume   248.28
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.68  1.0
  Hg  Hg2  2  0.0  0.0  0.96  1.0
  Ge  Ge3  4  0.29  0.29  0.24  1.0

La Hg Hg Ge Ge
La Hg Hg Ge Ge 0 2 o o - 0 1 o o - 0 3 o - - 0 3 o o o 0 4 o o o 0 4 - o - 1 2 o o o 1 3 o o o 1 4 o o o 2 3 o - o 2 3 o o + 2 4 o o + 2 4 - o o 3 4 o o o 
La(HgGe)2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a single-bond geometry to one Hg(2) and four equivalent Ge(1) atoms. The La(1)-Hg(2) bond length is 0.27 Å. There are two shorter (2.65 Å) and two longer (2.96 Å) La(1)-Ge(1) bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 3-coordinate geometry to one Hg(2) and two equivalent Ge(1) atoms. The Hg(1)-Hg(2) bond length is 1.75 Å. Both Hg(1)-Ge(1) bond lengths are 2.72 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one La(1) and one Hg(1) atom. Ge(1) is bonded in a 2-coordinate geometry to two equivalent La(1) and one Hg(1) atom.