data_Ho2BePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2BePb
_chemical_formula_sum   'Ho2 Be1 Pb1'
_cell_volume   95.08
_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
  Ho  Ho1  1  0.43  0.43  0.43  1.0
  Ho  Ho2  1  0.81  0.81  0.81  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.62  0.62  0.62  1.0

data_Ho2BePb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ho2BePb
_chemical_formula_sum   'Ho6 Be3 Pb3'
_cell_volume   285.25
_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
  Ho  Ho0  3  0.0  0.0  0.19  1.0
  Ho  Ho1  3  0.0  0.0  0.57  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.38  1.0

Ho Ho Be Pb
Ho Ho Be Pb 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 0 3 o o o 1 3 o o o 1 2 + + + 2 3 - - o 2 3 - o - 2 3 o - - 
BeHo2Pb crystallizes in the trigonal R3m space group. Be(1) is bonded in a 7-coordinate geometry to one Ho(2), three equivalent Ho(1), and three equivalent Pb(1) atoms. The Be(1)-Ho(2) bond length is 2.37 Å. All Be(1)-Ho(1) bond lengths are 3.22 Å. All Be(1)-Pb(1) bond lengths are 3.01 Å. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a single-bond geometry to three equivalent Be(1) and one Pb(1) atom. The Ho(1)-Pb(1) bond length is 2.37 Å. In the second Ho site, Ho(2) is bonded in a distorted linear geometry to one Be(1) and one Pb(1) atom. The Ho(2)-Pb(1) bond length is 2.37 Å. Pb(1) is bonded in a distorted linear geometry to three equivalent Be(1), one Ho(1), and one Ho(2) atom.