data_SrYBeHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYBeHg
_chemical_formula_sum   'Sr1 Y1 Be1 Hg1'
_cell_volume   97.31
_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  Sr2  1  0.83  0.83  0.83  1.0
  Y  Y3  1  0.65  0.65  0.65  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.48  0.48  0.48  1.0

data_SrYBeHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrYBeHg
_chemical_formula_sum   'Sr3 Y3 Be3 Hg3'
_cell_volume   291.93
_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  0.17  1.0
  Y  Y1  3  0.0  0.0  0.35  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Hg  Hg3  3  0.0  0.0  0.52  1.0

Sr Y Be Hg
Sr Y Be Hg 0 1 o o o 0 2 + + + 1 3 o o o 
SrBeYHg crystallizes in the trigonal R3m space group. Sr(1) is bonded to one Be(1), one Y(1), and three equivalent Hg(1) atoms to form distorted SrYBeHg3 trigonal bipyramids that share corners with six equivalent Sr(1)YBeHg3 trigonal bipyramids and  a cornercorner with one Hg(1)Sr3Y trigonal pyramid. The Sr(1)-Be(1) bond length is 2.21 Å. The Sr(1)-Y(1) bond length is 2.21 Å. All Sr(1)-Hg(1) bond lengths are 2.99 Å. Be(1) is bonded in a distorted single-bond geometry to one Sr(1) atom. Y(1) is bonded in a distorted linear geometry to one Sr(1) and one Hg(1) atom. The Y(1)-Hg(1) bond length is 2.21 Å. Hg(1) is bonded to three equivalent Sr(1) and one Y(1) atom to form distorted HgSr3Y trigonal pyramids that share  a cornercorner with one Sr(1)YBeHg3 trigonal bipyramid and corners with six equivalent Hg(1)Sr3Y trigonal pyramids.