data_Al2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   12.79
_cell_length_c   25.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Te3
_chemical_formula_sum   'Al8 Te12'
_cell_volume   2352.37
_cell_formula_units_Z   4
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  0.93  0.41  0.11  1.0
  Al  Al1  1  0.43  0.93  0.11  1.0
  Al  Al2  1  0.42  0.25  0.11  1.0
  Al  Al3  1  0.92  0.09  0.11  1.0
  Al  Al4  1  0.08  0.59  0.19  1.0
  Al  Al5  1  0.58  0.75  0.19  1.0
  Al  Al6  1  0.57  0.43  0.19  1.0
  Al  Al7  1  0.07  0.91  0.19  1.0
  Te  Te8  1  0.09  0.25  0.06  1.0
  Te  Te9  1  0.59  0.09  0.06  1.0
  Te  Te10  1  0.09  0.58  0.09  1.0
  Te  Te11  1  0.58  0.43  0.08  1.0
  Te  Te12  1  0.59  0.76  0.09  1.0
  Te  Te13  1  0.08  0.91  0.08  1.0
  Te  Te14  1  0.92  0.41  0.22  1.0
  Te  Te15  1  0.41  0.26  0.22  1.0
  Te  Te16  1  0.42  0.93  0.22  1.0
  Te  Te17  1  0.91  0.08  0.22  1.0
  Te  Te18  1  0.41  0.59  0.24  1.0
  Te  Te19  1  0.91  0.75  0.24  1.0

Al Al Al Al Al Al Al Al Te Te Te Te Te Te Te Te Te Te Te Te 0 14 o o o 0 11 o o o 0 8 + o o 0 10 + o o 1 13 o o o 1 16 o o o 1 12 o o o 1 9 o + o 2 8 o o o 2 15 o o o 2 9 o o o 2 11 o o o 3 17 o o o 3 9 o o o 3 13 + - o 3 8 + o o 4 14 - o o 4 19 - o o 4 10 o o o 4 18 o o o 5 18 o o o 5 16 o o o 5 19 o o o 5 12 o o o 6 15 o o o 6 18 o o o 6 14 o o o 6 11 o o o 7 19 - o o 7 17 - + o 7 13 o o o 7 16 o o o 
data_Al2Te3
_symmetry_space_group_name_H-M   P2_1/c
_cell_length_a   25.32
_cell_length_b   12.79
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   14
_chemical_formula_structural   Al2Te3
_chemical_formula_sum   'Al8 Te12'
_cell_volume   2352.37
_cell_formula_units_Z   4
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+1/2'
  4  'x, -y+1/2, z+1/2'
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  4  0.04  0.17  0.33  1.0
  Al  Al1  4  0.04  0.01  0.82  1.0
  Te  Te2  4  0.06  0.66  0.16  1.0
  Te  Te3  4  0.07  0.51  0.67  1.0
  Te  Te4  4  0.09  0.17  0.66  1.0
