data_LiLaZnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaZnBi
_chemical_formula_sum   'Li1 La1 Zn1 Bi1'
_cell_volume   97.3
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  La  La1  1  0.83  0.83  0.83  1.0
  Zn  Zn3  1  0.65  0.65  0.65  1.0
  Bi  Bi0  1  0.48  0.48  0.48  1.0

data_LiLaZnBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiLaZnBi
_chemical_formula_sum   'Li3 La3 Zn3 Bi3'
_cell_volume   291.9
_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
  Li  Li0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.17  1.0
  Zn  Zn2  3  0.0  0.0  0.35  1.0
  Bi  Bi3  3  0.0  0.0  0.52  1.0

Li La Zn Bi
Li La Zn Bi 0 1 - - - 1 2 o o o 2 3 o o o 
LiLaZnBi crystallizes in the trigonal R3m space group. Li(1) is bonded to one La(1) and three equivalent Zn(1) atoms to form distorted LiLaZn3 trigonal pyramids that share  a cornercorner with one Zn(1)Li3LaBi trigonal bipyramid, corners with three equivalent La(1)LiZnBi3 trigonal bipyramids, corners with six equivalent Li(1)LaZn3 trigonal pyramids, and edges with three equivalent Bi(1)La3Zn trigonal pyramids. The Li(1)-La(1) bond length is 2.21 Å. All Li(1)-Zn(1) bond lengths are 2.99 Å. La(1) is bonded to one Li(1), one Zn(1), and three equivalent Bi(1) atoms to form distorted LaLiZnBi3 trigonal bipyramids that share corners with six equivalent La(1)LiZnBi3 trigonal bipyramids,  a cornercorner with one Bi(1)La3Zn trigonal pyramid, corners with three equivalent Li(1)LaZn3 trigonal pyramids, and edges with three equivalent Zn(1)Li3LaBi trigonal bipyramids. The La(1)-Zn(1) bond length is 2.21 Å. All La(1)-Bi(1) bond lengths are 2.99 Å. Zn(1) is bonded to three equivalent Li(1), one La(1), and one Bi(1) atom to form distorted ZnLi3LaBi trigonal bipyramids that share corners with six equivalent Zn(1)Li3LaBi trigonal bipyramids,  a cornercorner with one Li(1)LaZn3 trigonal pyramid, corners with three equivalent Bi(1)La3Zn trigonal pyramids, and edges with three equivalent La(1)LiZnBi3 trigonal bipyramids. The Zn(1)-Bi(1) bond length is 2.21 Å. Bi(1) is bonded to three equivalent La(1) and one Zn(1) atom to form distorted BiLa3Zn trigonal pyramids that share  a cornercorner with one La(1)LiZnBi3 trigonal bipyramid, corners with three equivalent Zn(1)Li3LaBi trigonal bipyramids, corners with six equivalent Bi(1)La3Zn trigonal pyramids, and edges with three equivalent Li(1)LaZn3 trigonal pyramids.