data_NbBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.36
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   105.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBTe2
_chemical_formula_sum   'Nb1 B1 Te2'
_cell_volume   75.83
_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  0.14  0.0  0.04  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.02  0.68  0.66  1.0
  Te  Te3  1  0.96  0.68  0.42  1.0

data_NbBTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.71
_cell_length_c   6.32
_cell_angle_alpha   105.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBTe2
_chemical_formula_sum   'Nb1 B1 Te2'
_cell_volume   75.83
_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  0.86  0.96  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.32  0.04  0.58  1.0
  Te  Te3  1  0.32  0.98  0.34  1.0

Nb B Te Te