data_HfBeTlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeTlRu
_chemical_formula_sum   'Hf1 Be1 Tl1 Ru1'
_cell_volume   66.42
_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
  Hf  Hf1  1  0.82  0.82  0.82  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.21  0.21  0.21  1.0
  Ru  Ru2  1  0.61  0.61  0.61  1.0

data_HfBeTlRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfBeTlRu
_chemical_formula_sum   'Hf3 Be3 Tl3 Ru3'
_cell_volume   199.27
_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
  Hf  Hf0  3  0.0  0.0  0.18  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Tl  Tl2  3  0.0  0.0  0.79  1.0
  Ru  Ru3  3  0.0  0.0  0.39  1.0

Hf Be Tl Ru
BeHfRuTl crystallizes in the trigonal R3m space group. Be(1) is bonded in a distorted single-bond geometry to one Hf(1), three equivalent Ru(1), and one Tl(1) atom. The Be(1)-Hf(1) bond length is 1.99 Å. All Be(1)-Ru(1) bond lengths are 2.71 Å. The Be(1)-Tl(1) bond length is 2.39 Å. Hf(1) is bonded in a distorted linear geometry to one Be(1), four equivalent Ru(1), and three equivalent Tl(1) atoms. There is one shorter (2.39 Å) and three longer (2.94 Å) Hf(1)-Ru(1) bond lengths. All Hf(1)-Tl(1) bond lengths are 2.71 Å. Ru(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), four equivalent Hf(1), and three equivalent Tl(1) atoms. All Ru(1)-Tl(1) bond lengths are 2.71 Å. Tl(1) is bonded in a 7-coordinate geometry to one Be(1), three equivalent Hf(1), and three equivalent Ru(1) atoms.