data_SmLu2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmLu2Be
_chemical_formula_sum   'Sm1 Lu2 Be1'
_cell_volume   99.37
_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
  Sm  Sm3  1  0.68  0.68  0.68  1.0
  Lu  Lu1  1  0.51  0.51  0.51  1.0
  Lu  Lu2  1  0.84  0.84  0.84  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_SmLu2Be
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SmLu2Be
_chemical_formula_sum   'Sm3 Lu6 Be3'
_cell_volume   298.11
_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
  Sm  Sm0  3  0.0  0.0  0.32  1.0
  Lu  Lu1  3  0.0  0.0  0.16  1.0
  Lu  Lu2  3  0.0  0.0  0.49  1.0
  Be  Be3  3  0.0  0.0  0.0  1.0

Sm Lu Lu Be
Sm Lu Lu Be 0 1 o o o 0 2 o o o 2 3 + + + 
BeLu2Sm crystallizes in the trigonal R3m space group. Be(1) is bonded to one Lu(2) and three equivalent Sm(1) atoms to form distorted BeSm3Lu trigonal pyramids that share  a cornercorner with one Sm(1)Lu2Be3 trigonal bipyramid and corners with six equivalent Be(1)Sm3Lu trigonal pyramids. The Be(1)-Lu(2) bond length is 2.06 Å. All Be(1)-Sm(1) bond lengths are 3.00 Å. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a single-bond geometry to one Sm(1) atom. The Lu(1)-Sm(1) bond length is 2.06 Å. In the second Lu site, Lu(2) is bonded in a linear geometry to one Be(1) and one Sm(1) atom. The Lu(2)-Sm(1) bond length is 2.06 Å. Sm(1) is bonded to three equivalent Be(1), one Lu(1), and one Lu(2) atom to form distorted SmLu2Be3 trigonal bipyramids that share corners with six equivalent Sm(1)Lu2Be3 trigonal bipyramids and  a cornercorner with one Be(1)Sm3Lu trigonal pyramid.