data_NbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   148.11
_cell_angle_beta   134.82
_cell_angle_gamma   56.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTe
_chemical_formula_sum   'Nb2 Te2'
_cell_volume   86.37
_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  0.69  0.18  0.25  1.0
  Nb  Nb1  1  0.0  0.18  0.17  1.0
  Te  Te2  1  0.69  0.18  0.84  1.0
  Te  Te3  1  0.0  0.18  0.58  1.0

data_NbTe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.38
_cell_length_b   4.72
_cell_length_c   6.15
_cell_angle_alpha   112.59
_cell_angle_beta   105.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbTe
_chemical_formula_sum   'Nb2 Te2'
_cell_volume   86.37
_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  0.3  0.46  0.3  1.0
  Te  Te1  2  0.28  0.13  0.28  1.0

Nb Nb Te Te