data_LaGa4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa4Te
_chemical_formula_sum   'La1 Ga4 Te1'
_cell_volume   146.87
_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  La4  1  0.28  0.28  0.28  1.0
  Ga  Ga0  1  0.23  0.23  0.14  1.0
  Ga  Ga1  1  0.23  0.14  0.23  1.0
  Ga  Ga2  1  0.14  0.23  0.23  1.0
  Ga  Ga3  1  0.14  0.14  0.14  1.0
  Te  Te5  1  0.0  0.0  0.0  1.0

data_LaGa4Te
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   14.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaGa4Te
_chemical_formula_sum   'La3 Ga12 Te3'
_cell_volume   440.62
_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  0.72  1.0
  Ga  Ga1  9  0.06  0.03  0.8  1.0
  Ga  Ga2  3  0.0  0.0  0.86  1.0
  Te  Te3  3  0.0  0.0  0.0  1.0

La Ga Ga Ga Ga Te
La Ga Ga Ga Ga Te 0 3 o o o 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 1 4 o o o 2 3 o o o 2 4 o o o 3 4 o o o 4 5 o o o 
LaGa4Te crystallizes in the trigonal R3m space group. La(1) is bonded in a 6-coordinate geometry to three equivalent Ga(1) and three equivalent Te(1) atoms. All La(1)-Ga(1) bond lengths are 1.18 Å. All La(1)-Te(1) bond lengths are 3.50 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 3-coordinate geometry to one La(1), one Ga(2), and two equivalent Ga(1) atoms. The Ga(1)-Ga(2) bond length is 0.96 Å. Both Ga(1)-Ga(1) bond lengths are 0.56 Å. In the second Ga site, Ga(2) is bonded in a distorted single-bond geometry to three equivalent Ga(1) and one Te(1) atom. The Ga(2)-Te(1) bond length is 2.04 Å. Te(1) is bonded to three equivalent La(1) and one Ga(2) atom to form distorted corner-sharing TeLa3Ga tetrahedra.