data_LaZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn5
_chemical_formula_sum   'La1 Zn5'
_cell_volume   114.79
_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  La0  1  0.79  0.79  0.79  1.0
  Zn  Zn1  1  0.89  0.82  0.82  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.82  0.89  0.82  1.0
  Zn  Zn4  1  0.82  0.82  0.89  1.0
  Zn  Zn5  1  0.89  0.89  0.89  1.0

data_LaZn5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   13.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaZn5
_chemical_formula_sum   'La3 Zn15'
_cell_volume   344.36
_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  0.21  1.0
  Zn  Zn1  9  0.02  0.05  0.15  1.0
  Zn  Zn2  3  0.0  0.0  0.0  1.0
  Zn  Zn3  3  0.0  0.0  0.11  1.0

La Zn Zn Zn Zn Zn
La Zn Zn Zn Zn Zn 0 4 o o o 0 3 o o o 0 1 o o o 1 4 o o o 1 3 o o o 1 5 o o o 2 5 - - - 3 4 o o o 3 5 o o o 4 5 o o o 
LaZn5 crystallizes in the trigonal R3m space group. La(1) is bonded in a 3-coordinate geometry to three equivalent Zn(1) and three equivalent Zn(2) atoms. All La(1)-Zn(1) bond lengths are 0.83 Å. All La(1)-Zn(2) bond lengths are 3.53 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to one La(1), one Zn(3), and two equivalent Zn(1) atoms. The Zn(1)-Zn(3) bond length is 0.65 Å. Both Zn(1)-Zn(1) bond lengths are 0.38 Å. In the second Zn site, Zn(2) is bonded to three equivalent La(1) and one Zn(3) atom to form corner-sharing ZnLa3Zn tetrahedra. The Zn(2)-Zn(3) bond length is 1.45 Å. In the third Zn site, Zn(3) is bonded in a 4-coordinate geometry to one Zn(2) and three equivalent Zn(1) atoms.