data_Nb3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Te
_chemical_formula_sum   'Nb6 Te2'
_cell_volume   152.74
_cell_formula_units_Z   2
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  Nb0  1  0.63  0.28  0.49  1.0
  Nb  Nb1  1  0.63  0.72  0.16  1.0
  Nb  Nb2  1  0.54  0.9  0.49  1.0
  Nb  Nb3  1  0.72  0.1  0.16  1.0
  Nb  Nb4  1  0.54  0.1  0.16  1.0
  Nb  Nb5  1  0.72  0.9  0.49  1.0
  Te  Te6  1  0.63  0.7  0.49  1.0
  Te  Te7  1  0.63  0.3  0.16  1.0

data_Nb3Te
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.66
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   102.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb3Te
_chemical_formula_sum   'Nb6 Te2'
_cell_volume   152.74
_cell_formula_units_Z   2
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  2  0.16  0.41  0.9  1.0
  Nb  Nb1  2  0.16  0.5  0.28  1.0
  Nb  Nb2  2  0.16  0.59  0.9  1.0
  Te  Te3  2  0.16  0.5  0.7  1.0

Nb Nb Nb Nb Nb Nb Te Te
Nb Nb Nb Nb Nb Nb Te Te 0 4 o o o 0 7 o o o 1 6 o o o 1 5 o o o 2 5 o o o 2 6 o o o 3 4 o o o 3 7 o o o 4 7 o o o 5 6 o o o 