data_NbB2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   137.37
_cell_angle_beta   117.51
_cell_angle_gamma   78.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB2Te
_chemical_formula_sum   'Nb1 B2 Te1'
_cell_volume   55.3
_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  Nb2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.66  0.0  0.76  1.0
  B  B1  1  0.0  0.36  0.77  1.0
  Te  Te3  1  0.0  0.0  0.53  1.0

data_NbB2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   62.49
_cell_angle_beta   68.69
_cell_angle_gamma   68.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbB2Te
_chemical_formula_sum   'Nb1 B2 Te1'
_cell_volume   55.3
_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
  B  B1  1  0.0  0.34  0.76  1.0
  B  B2  1  0.36  0.0  0.4  1.0
  Te  Te3  1  0.0  0.0  0.53  1.0

Nb B B Te