data_LaBeCuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeCuPb
_chemical_formula_sum   'La1 Be1 Cu1 Pb1'
_cell_volume   88.21
_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
  La  La2  1  0.3  0.3  0.3  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.77  0.77  0.77  1.0
  Pb  Pb3  1  0.53  0.53  0.53  1.0

data_LaBeCuPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   12.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaBeCuPb
_chemical_formula_sum   'La3 Be3 Cu3 Pb3'
_cell_volume   264.62
_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
  La  La0  3  0.0  0.0  0.7  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Cu  Cu2  3  0.0  0.0  0.23  1.0
  Pb  Pb3  3  0.0  0.0  0.47  1.0

La Be Cu Pb
La Be Cu Pb 0 3 o - o 0 3 - o o 0 3 o o - 0 3 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 - 1 2 - - - 1 2 - - o 1 2 o - - 1 2 - o - 1 3 - - o 1 3 - o - 1 3 o - - 2 3 o o o 2 3 o o + 2 3 + o o 2 3 o + o 
BeLaCuPb crystallizes in the trigonal R3m space group. Be(1) is bonded to three equivalent La(1) and one Cu(1) atom to form distorted corner-sharing BeLa3Cu trigonal pyramids. All Be(1)-La(1) bond lengths are 2.91 Å. The Be(1)-Cu(1) bond length is 2.86 Å. La(1) is bonded in a 7-coordinate geometry to three equivalent Be(1), three equivalent Cu(1), and four equivalent Pb(1) atoms. All La(1)-Cu(1) bond lengths are 3.32 Å. There is one shorter (2.86 Å) and three longer (3.13 Å) La(1)-Pb(1) bond lengths. Cu(1) is bonded in a 8-coordinate geometry to one Be(1), three equivalent La(1), and four equivalent Pb(1) atoms. There is one shorter (2.86 Å) and three longer (3.13 Å) Cu(1)-Pb(1) bond lengths. Pb(1) is bonded in a distorted body-centered cubic geometry to four equivalent La(1) and four equivalent Cu(1) atoms.