data_AlTeI7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   6.93
_cell_length_c   28.86
_cell_angle_alpha   90.0
_cell_angle_beta   105.75
_cell_angle_gamma   87.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTeI7
_chemical_formula_sum   'Al1 Te1 I7'
_cell_volume   1385.92
_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  0.7  0.01  0.2  1.0
  Te  Te1  1  0.01  0.58  0.29  1.0
  I  I2  1  0.45  0.91  0.12  1.0
  I  I3  1  0.7  0.38  0.2  1.0
  I  I4  1  0.04  0.86  0.2  1.0
  I  I5  1  0.62  0.89  0.28  1.0
  I  I6  1  0.31  0.34  0.28  1.0
  I  I7  1  0.89  0.36  0.36  1.0
  I  I8  1  0.23  0.83  0.36  1.0

Al Te I I I I I I I 0 2 o - o 0 5 o - o 0 4 + - o 0 3 o o o 1 3 - o o 1 7 - o o 1 5 - o o 1 6 o o o 1 4 o o o 1 8 o o o 
data_AlTeI7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.93
_cell_length_b   7.22
_cell_length_c   27.78
_cell_angle_alpha   91.28
_cell_angle_beta   90.77
_cell_angle_gamma   92.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTeI7
_chemical_formula_sum   'Al1 Te1 I7'
_cell_volume   1385.92
_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  0.99  0.5  0.2  1.0
  Te  Te1  1  0.42  0.71  0.29  1.0
  I  I2  1  0.09  0.32  0.12  1.0
  I  I3  1  0.11  0.34  0.28  1.0
  I  I4  1  0.14  0.84  0.2  1.0
  I  I5  1  0.17  0.87  0.36  1.0
  I  I6  1  0.62  0.5  0.2  1.0
  I  I7  1  0.64  0.53  0.36  1.0
  I  I8  1  0.66  0.03  0.28  1.0
