data_NbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   7.81
_cell_angle_alpha   108.39
_cell_angle_beta   108.39
_cell_angle_gamma   31.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTe2
_chemical_formula_sum   'Nb2 Te4'
_cell_volume   176.41
_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  0.33  0.0  0.33  1.0
  Nb  Nb1  1  0.18  0.0  0.05  1.0
  Te  Te2  1  0.95  0.0  0.36  1.0
  Te  Te3  1  0.13  0.0  0.95  1.0
  Te  Te4  1  0.56  0.0  0.02  1.0
  Te  Te5  1  0.38  0.0  0.44  1.0

data_NbTe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.66
_cell_length_b   6.79
_cell_length_c   7.81
_cell_angle_alpha   108.39
_cell_angle_beta   90.0
_cell_angle_gamma   105.63
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbTe2
_chemical_formula_sum   'Nb2 Te4'
_cell_volume   176.41
_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  0.0  0.43  0.36  1.0
  Te  Te1  2  0.0  0.2  0.67  1.0
  Te  Te2  2  0.0  0.38  0.25  1.0

Nb Nb Te Te Te Te
Nb Nb Te Te Te Te 0 5 o o o 0 2 - o o 1 3 o o - 1 4 o o o 2 4 o o o 2 5 + o o 3 4 o o + 