data_NbVTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.28
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVTe2
_chemical_formula_sum   'Nb1 V1 Te2'
_cell_volume   82.48
_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  Nb0  1  0.75  0.0  0.74  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.75  0.14  0.0  1.0
  Te  Te2  1  0.0  0.14  0.74  1.0

data_NbVTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.28
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVTe2
_chemical_formula_sum   'Nb1 V1 Te2'
_cell_volume   82.48
_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  Nb0  1  0.75  0.0  0.74  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.14  0.74  1.0
  Te  Te3  1  0.75  0.14  0.0  1.0

Nb V Te Te
Nb V Te Te 0 3 + o o 1 2 - o o 