data_Al3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Te
_chemical_formula_sum   'Al6 Te2'
_cell_volume   167.02
_cell_formula_units_Z   2
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
  Al  Al0  1  0.0  0.67  0.74  1.0
  Al  Al1  1  0.34  0.55  0.74  1.0
  Al  Al2  1  0.66  0.55  0.74  1.0
  Al  Al3  1  0.44  0.83  0.25  1.0
  Al  Al4  1  0.77  0.83  0.25  1.0
  Al  Al5  1  0.11  0.72  0.25  1.0
  Te  Te6  1  0.11  0.79  0.74  1.0
  Te  Te7  1  0.0  0.59  0.25  1.0

data_Al3Te
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   6.22
_cell_length_b   4.99
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   Al3Te
_chemical_formula_sum   'Al6 Te2'
_cell_volume   167.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -y+1/2, 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
  Al  Al0  2  0.05  0.75  0.52  1.0
  Al  Al1  2  0.28  0.25  0.36  1.0
  Al  Al2  2  0.39  0.75  0.64  1.0
  Te  Te3  2  0.05  0.25  0.6  1.0

Al Al Al Al Al Al Te Te
Al Al Al Al Al Al Te Te 0 6 o o o 0 1 o o o 0 2 - o o 1 2 o o o 3 5 o o o 3 4 o o o 4 5 + o o 5 7 o o o 