data_Al2Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   8.29
_cell_length_c   24.1
_cell_angle_alpha   95.88
_cell_angle_beta   90.0
_cell_angle_gamma   104.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Te5
_chemical_formula_sum   'Al2 Te5'
_cell_volume   805.3
_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
  Al  Al0  1  0.3  0.6  0.04  1.0
  Al  Al1  1  0.7  0.4  0.13  1.0
  Te  Te2  1  0.44  0.88  1.0  1.0
  Te  Te3  1  0.3  0.61  0.15  1.0
  Te  Te4  1  0.7  0.39  0.02  1.0
  Te  Te5  1  0.0  0.0  0.09  1.0
  Te  Te6  1  0.56  0.12  0.17  1.0

Al Al Te Te Te Te Te 0 4 - o o 0 4 o o o 0 2 o o - 0 3 o o o 1 3 o o o 1 3 + o o 1 4 o o o 1 6 o o o 2 5 o + + 2 5 + + + 5 6 - o o 5 6 o o o 
data_Al2Te5
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   16.05
_cell_length_b   4.19
_cell_length_c   24.1
_cell_angle_alpha   90.0
_cell_angle_beta   96.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Al2Te5
_chemical_formula_sum   'Al4 Te10'
_cell_volume   1610.6
_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, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -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  4  0.2  0.5  0.04  1.0
  Te  Te1  4  0.06  0.5  0.09  1.0
  Te  Te2  4  0.2  0.5  0.93  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Al Al Te Te Te Te Te