data_LaZn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2Te
_chemical_formula_sum   'La1 Zn2 Te1'
_cell_volume   98.64
_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  0.67  0.67  0.67  1.0
  Zn  Zn2  1  0.83  0.83  0.83  1.0
  Zn  Zn3  1  0.5  0.5  0.5  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0

data_LaZn2Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaZn2Te
_chemical_formula_sum   'La3 Zn6 Te3'
_cell_volume   295.91
_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  0.33  1.0
  Zn  Zn1  3  0.0  0.0  0.17  1.0
  Zn  Zn2  3  0.0  0.0  0.5  1.0
  Te  Te3  3  0.0  0.0  0.0  1.0

La Zn Zn Te
La Zn Zn Te 0 2 o o o 0 1 o o o 1 3 + + + 
LaZn2Te crystallizes in the trigonal R3m space group. La(1) is bonded to one Zn(1), one Zn(2), and three equivalent Te(1) atoms to form distorted LaZn2Te3 trigonal bipyramids that share corners with six equivalent La(1)Zn2Te3 trigonal bipyramids and  a cornercorner with one Te(1)La3Zn trigonal pyramid. The La(1)-Zn(1) bond length is 2.11 Å. The La(1)-Zn(2) bond length is 2.11 Å. All La(1)-Te(1) bond lengths are 2.99 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a linear geometry to one La(1) and one Te(1) atom. The Zn(1)-Te(1) bond length is 2.11 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one La(1) atom. Te(1) is bonded to three equivalent La(1) and one Zn(1) atom to form TeLa3Zn trigonal pyramids that share  a cornercorner with one La(1)Zn2Te3 trigonal bipyramid and corners with six equivalent Te(1)La3Zn trigonal pyramids.