data_SrFeCoHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeCoHg
_chemical_formula_sum   'Sr1 Fe1 Co1 Hg1'
_cell_volume   81.79
_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  0.72  0.72  0.72  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.17  0.17  0.17  1.0
  Hg  Hg2  1  0.45  0.45  0.45  1.0

data_SrFeCoHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   11.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrFeCoHg
_chemical_formula_sum   'Sr3 Fe3 Co3 Hg3'
_cell_volume   245.37
_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
  Sr  Sr0  3  0.0  0.0  0.28  1.0
  Fe  Fe1  3  0.0  0.0  0.0  1.0
  Co  Co2  3  0.0  0.0  0.83  1.0
  Hg  Hg3  3  0.0  0.0  0.55  1.0

Sr Fe Co Hg
Sr Fe Co Hg 0 3 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 0 1 o + + 0 1 + o + 0 1 + + o 0 1 + + + 1 2 o o o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o o 2 3 o o - 2 3 o - o 2 3 - o o 
SrFeCoHg crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 11-coordinate geometry to four equivalent Fe(1), three equivalent Co(1), and four equivalent Hg(1) atoms. There are three shorter (2.89 Å) and one longer (3.31 Å) Sr(1)-Fe(1) bond length. All Sr(1)-Co(1) bond lengths are 3.11 Å. There are three shorter (2.89 Å) and one longer (3.31 Å) Sr(1)-Hg(1) bond length. Fe(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1), one Co(1), and three equivalent Hg(1) atoms. The Fe(1)-Co(1) bond length is 2.00 Å. All Fe(1)-Hg(1) bond lengths are 3.11 Å. Co(1) is bonded in a distorted single-bond geometry to three equivalent Sr(1), one Fe(1), and four equivalent Hg(1) atoms. There are three shorter (2.89 Å) and one longer (3.31 Å) Co(1)-Hg(1) bond length. Hg(1) is bonded in a 11-coordinate geometry to four equivalent Sr(1), three equivalent Fe(1), and four equivalent Co(1) atoms.