data_SrFe2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.76
_cell_angle_alpha   108.94
_cell_angle_beta   108.94
_cell_angle_gamma   48.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Hg
_chemical_formula_sum   'Sr1 Fe2 Hg1'
_cell_volume   95.19
_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
  Fe  Fe0  1  0.05  0.0  0.23  1.0
  Fe  Fe1  1  0.73  0.0  0.14  1.0
  Hg  Hg2  1  0.39  0.0  0.69  1.0

data_SrFe2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.85
_cell_length_c   5.76
_cell_angle_alpha   108.94
_cell_angle_beta   90.0
_cell_angle_gamma   114.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Hg
_chemical_formula_sum   'Sr1 Fe2 Hg1'
_cell_volume   95.19
_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
  Fe  Fe1  1  0.0  0.27  0.86  1.0
  Fe  Fe2  1  0.0  0.95  0.77  1.0
  Hg  Hg3  1  0.0  0.61  0.31  1.0

Sr Fe Fe Hg
SrFe2Hg crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 1-coordinate geometry to one Fe(1), one Fe(2), and three equivalent Hg(1) atoms. The Sr(1)-Fe(1) bond length is 1.28 Å. The Sr(1)-Fe(2) bond length is 1.75 Å. There are a spread of Sr(1)-Hg(1) bond distances ranging from 2.91-3.84 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Sr(1) and one Hg(1) atom. The Fe(1)-Hg(1) bond length is 2.61 Å. In the second Fe site, Fe(2) is bonded in a 1-coordinate geometry to one Sr(1) and one Hg(1) atom. The Fe(2)-Hg(1) bond length is 2.61 Å. Hg(1) is bonded to three equivalent Sr(1), one Fe(1), and one Fe(2) atom to form distorted corner-sharing HgSr3Fe2 trigonal bipyramids.