data_Al2FeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FeTe
_chemical_formula_sum   'Al2 Fe1 Te1'
_cell_volume   71.02
_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  0.32  0.04  0.72  1.0
  Al  Al1  1  0.32  0.96  0.72  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.64  0.0  0.0  1.0

data_Al2FeTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   112.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FeTe
_chemical_formula_sum   'Al2 Fe1 Te1'
_cell_volume   71.02
_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  0.72  0.32  0.04  1.0
  Al  Al1  1  0.72  0.32  0.96  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.64  0.0  1.0

Al Al Fe Te
Al Al Fe Te 0 1 o - o 0 2 o o + 0 3 o o + 1 2 o + + 1 3 o + + 2 3 - o o 