data_LaHg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   5.02
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   103.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHg2Pd
_chemical_formula_sum   'La1 Hg2 Pd1'
_cell_volume   100.51
_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  La2  1  0.34  0.0  0.54  1.0
  Hg  Hg0  1  0.04  0.51  0.1  1.0
  Hg  Hg1  1  0.65  0.51  0.98  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_LaHg2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.02
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   103.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHg2Pd
_chemical_formula_sum   'La1 Hg2 Pd1'
_cell_volume   100.51
_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  0.34  0.0  0.54  1.0
  Hg  Hg1  1  0.04  0.51  0.1  1.0
  Hg  Hg2  1  0.65  0.51  0.98  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

La Hg Hg Pd
La Hg Hg Pd 0 1 o - o 0 1 o o o 0 3 o o o 0 3 o o + 0 3 + o + 0 2 o - o 0 2 o o o 1 2 - o - 1 3 o + o 1 3 o o o 2 3 + + + 2 3 + o + 
LaPdHg2 crystallizes in the triclinic P1 space group. La(1) is bonded in a 7-coordinate geometry to three equivalent Pd(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. There are a spread of La(1)-Pd(1) bond distances ranging from 2.83-3.08 Å. There is one shorter (3.37 Å) and one longer (3.46 Å) La(1)-Hg(1) bond length. There is one shorter (3.37 Å) and one longer (3.46 Å) La(1)-Hg(2) bond length. Pd(1) is bonded in a 7-coordinate geometry to three equivalent La(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. There is one shorter (2.51 Å) and one longer (2.63 Å) Pd(1)-Hg(1) bond length. There is one shorter (2.81 Å) and one longer (2.92 Å) Pd(1)-Hg(2) bond length. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent Pd(1), and two equivalent Hg(2) atoms. There is one shorter (1.53 Å) and one longer (2.62 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent Pd(1), and two equivalent Hg(1) atoms.