data_SrLaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   137.44
_cell_angle_beta   137.44
_cell_angle_gamma   61.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaHg2
_chemical_formula_sum   'Sr1 La1 Hg2'
_cell_volume   122.71
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.0  0.35  0.78  1.0
  Hg  Hg0  1  0.35  0.0  0.78  1.0
  Hg  Hg1  1  0.0  0.0  0.56  1.0

data_SrLaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.47
_cell_angle_alpha   111.28
_cell_angle_beta   111.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaHg2
_chemical_formula_sum   'Sr1 La1 Hg2'
_cell_volume   122.71
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.57  0.35  0.57  1.0
  Hg  Hg2  1  0.22  0.0  0.57  1.0
  Hg  Hg3  1  0.44  0.0  0.44  1.0

Sr La Hg Hg
Sr La Hg Hg 0 1 o o - 0 1 o o o 0 1 o - - 0 2 - o - 0 2 o o - 0 2 o o o 0 3 o o - 0 3 o o o 1 3 o o o 2 3 o o o 
SrLaHg2 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 2-coordinate geometry to one Hg(2) and three equivalent Hg(1) atoms. The Sr(1)-Hg(2) bond length is 2.87 Å. There are a spread of Sr(1)-Hg(1) bond distances ranging from 3.30-3.70 Å. La(1) is bonded in a single-bond geometry to one Hg(2) and three equivalent Hg(1) atoms. The La(1)-Hg(2) bond length is 1.55 Å. There is one shorter (2.32 Å) and two longer (3.47 Å) La(1)-Hg(1) bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), three equivalent La(1), and one Hg(2) atom. The Hg(1)-Hg(2) bond length is 1.55 Å. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Sr(1), one La(1), and one Hg(1) atom.