data_NbInTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   8.14
_cell_angle_alpha   103.2
_cell_angle_beta   103.2
_cell_angle_gamma   54.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInTe2
_chemical_formula_sum   'Nb1 In1 Te2'
_cell_volume   116.86
_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  0.0  0.0  0.0  1.0
  In  In0  1  0.73  0.0  0.93  1.0
  Te  Te2  1  0.31  0.0  0.27  1.0
  Te  Te3  1  0.15  0.0  0.6  1.0

data_NbInTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.26
_cell_length_c   8.14
_cell_angle_alpha   103.2
_cell_angle_beta   90.0
_cell_angle_gamma   117.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInTe2
_chemical_formula_sum   'Nb1 In1 Te2'
_cell_volume   116.86
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.27  0.07  1.0
  Te  Te2  1  0.0  0.69  0.73  1.0
  Te  Te3  1  0.0  0.85  0.4  1.0

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