data_SrMnBeHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMnBeHg
_chemical_formula_sum   'Sr1 Mn1 Be1 Hg1'
_cell_volume   88.97
_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  0.31  0.31  0.31  1.0
  Mn  Mn2  1  0.77  0.77  0.77  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.54  0.54  0.54  1.0

data_SrMnBeHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   12.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrMnBeHg
_chemical_formula_sum   'Sr3 Mn3 Be3 Hg3'
_cell_volume   266.92
_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  0.69  1.0
  Mn  Mn1  3  0.0  0.0  0.23  1.0
  Be  Be2  3  0.0  0.0  1.0  1.0
  Hg  Hg3  3  0.0  0.0  0.46  1.0

Sr Mn Be Hg
Sr Mn Be Hg 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 1 2 + o + 1 2 o + + 1 2 + + o 1 2 + + + 1 3 o o o 1 3 o o + 1 3 + o o 1 3 o + o 2 3 - - o 2 3 - o - 2 3 o - - 
SrBeMnHg crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), three equivalent Mn(1), and four equivalent Hg(1) atoms. All Sr(1)-Be(1) bond lengths are 2.90 Å. All Sr(1)-Mn(1) bond lengths are 3.27 Å. There is one shorter (2.80 Å) and three longer (3.17 Å) Sr(1)-Hg(1) bond lengths. Be(1) is bonded to three equivalent Sr(1) and one Mn(1) atom to form distorted corner-sharing BeSr3Mn trigonal pyramids. The Be(1)-Mn(1) bond length is 2.80 Å. Mn(1) is bonded in a 8-coordinate geometry to three equivalent Sr(1), one Be(1), and four equivalent Hg(1) atoms. There is one shorter (2.80 Å) and three longer (3.17 Å) Mn(1)-Hg(1) bond lengths. Hg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Mn(1) atoms.