data_CeLuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeLuNi2
_chemical_formula_sum   'Ce1 Lu1 Ni2'
_cell_volume   79.13
_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
  Ce  Ce0  1  0.0  0.0  0.0  1.0
  Lu  Lu1  1  0.41  0.41  0.41  1.0
  Ni  Ni2  1  0.11  0.11  0.11  1.0
  Ni  Ni3  1  0.7  0.7  0.7  1.0

data_CeLuNi2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   11.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CeLuNi2
_chemical_formula_sum   'Ce3 Lu3 Ni6'
_cell_volume   237.39
_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
  Ce  Ce0  3  0.0  0.0  0.0  1.0
  Lu  Lu1  3  0.0  0.0  0.59  1.0
  Ni  Ni2  3  0.0  0.0  0.3  1.0
  Ni  Ni3  3  0.0  0.0  0.89  1.0

Ce Lu Ni Ni
Ce Lu Ni Ni 0 2 o o o 0 1 o o - 0 1 o - o 0 1 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o - - 2 3 - o - 2 3 - - o 
LuCeNi2 crystallizes in the trigonal R3m space group. Lu(1) is bonded in a 11-coordinate geometry to three equivalent Ce(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. All Lu(1)-Ce(1) bond lengths are 2.92 Å. There are three shorter (2.82 Å) and one longer (3.50 Å) Lu(1)-Ni(1) bond length. There are three shorter (2.82 Å) and one longer (3.50 Å) Lu(1)-Ni(2) bond length. Ce(1) is bonded in a single-bond geometry to three equivalent Lu(1), one Ni(1), and four equivalent Ni(2) atoms. The Ce(1)-Ni(1) bond length is 1.31 Å. There are three shorter (2.82 Å) and one longer (3.50 Å) Ce(1)-Ni(2) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to four equivalent Lu(1) and one Ce(1) atom. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Lu(1) and four equivalent Ce(1) atoms.