data_NbAlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlTe2
_chemical_formula_sum   'Nb1 Al1 Te2'
_cell_volume   84.97
_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
  Nb  Nb1  1  0.48  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.74  0.23  0.72  1.0
  Te  Te3  1  0.74  0.77  0.72  1.0

data_NbAlTe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.44
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbAlTe2
_chemical_formula_sum   'Nb1 Al1 Te2'
_cell_volume   84.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Nb  Nb0  1  -0.0  0.0  0.48  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Te  Te2  2  0.72  0.23  0.74  1.0

Nb Al Te Te
Nb Al Te Te 0 3 o - - 0 2 o o - 1 3 - - - 1 2 - o - 2 3 o - o 