data_SrCrFeHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrFeHg
_chemical_formula_sum   'Sr1 Cr1 Fe1 Hg1'
_cell_volume   86.92
_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  0.27  0.27  0.27  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.52  0.52  0.52  1.0
  Hg  Hg2  1  0.76  0.76  0.76  1.0

data_SrCrFeHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   12.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCrFeHg
_chemical_formula_sum   'Sr3 Cr3 Fe3 Hg3'
_cell_volume   260.76
_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  0.73  1.0
  Cr  Cr1  3  0.0  0.0  1.0  1.0
  Fe  Fe2  3  0.0  0.0  0.48  1.0
  Hg  Hg3  3  0.0  0.0  0.24  1.0

Sr Cr Fe Hg
Sr Cr Fe Hg 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 0 3 - - o 0 3 - o - 0 3 - o o 0 3 o - - 0 3 o - o 0 3 o o - 1 3 - - - 1 3 - - o 1 3 o - - 1 3 - o - 1 2 - - o 1 2 - o - 1 2 - o o 1 2 o - - 1 2 o - o 1 2 o o - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
SrCrFeHg crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 14-coordinate geometry to four equivalent Cr(1), four equivalent Fe(1), and six equivalent Hg(1) atoms. There are three shorter (2.96 Å) and one longer (3.33 Å) Sr(1)-Cr(1) bond length. There is one shorter (2.95 Å) and three longer (3.08 Å) Sr(1)-Fe(1) bond lengths. There are three shorter (3.41 Å) and three longer (3.63 Å) Sr(1)-Hg(1) bond lengths. Cr(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Hg(1) atoms. There is one shorter (2.95 Å) and three longer (3.08 Å) Cr(1)-Hg(1) bond lengths. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Hg(1) atoms. There is one shorter (2.95 Å) and three longer (3.08 Å) Fe(1)-Hg(1) bond lengths. Hg(1) is bonded in a 14-coordinate geometry to six equivalent Sr(1), four equivalent Cr(1), and four equivalent Fe(1) atoms.