data_La4CuSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4CuSb
_chemical_formula_sum   'La4 Cu1 Sb1'
_cell_volume   185.78
_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  La1  1  0.41  0.65  0.65  1.0
  La  La2  1  0.65  0.65  0.41  1.0
  La  La3  1  0.65  0.41  0.65  1.0
  La  La4  1  0.41  0.41  0.41  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sb  Sb5  1  0.79  0.79  0.79  1.0

data_La4CuSb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   15.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La4CuSb
_chemical_formula_sum   'La12 Cu3 Sb3'
_cell_volume   557.35
_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  9  0.16  0.08  0.43  1.0
  La  La1  3  0.0  0.0  0.59  1.0
  Cu  Cu2  3  0.0  0.0  0.0  1.0
  Sb  Sb3  3  0.0  0.0  0.21  1.0

La La La La Cu Sb
La4CuSb crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), one Cu(1), and two equivalent Sb(1) atoms. The La(1)-La(2) bond length is 2.61 Å. Both La(1)-La(1) bond lengths are 1.51 Å. The La(1)-Cu(1) bond length is 3.22 Å. There is one shorter (3.30 Å) and one longer (3.64 Å) La(1)-Sb(1) bond length. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent Cu(1), and three equivalent Sb(1) atoms. All La(2)-Cu(1) bond lengths are 3.89 Å. All La(2)-Sb(1) bond lengths are 3.78 Å. Cu(1) is bonded in a 7-coordinate geometry to three equivalent La(1), three equivalent La(2), and one Sb(1) atom. The Cu(1)-Sb(1) bond length is 3.24 Å. Sb(1) is bonded in a 10-coordinate geometry to three equivalent La(2), six equivalent La(1), and one Cu(1) atom.