data_NbBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   7.43
_cell_angle_alpha   27.44
_cell_angle_beta   27.44
_cell_angle_gamma   27.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBTe2
_chemical_formula_sum   'Nb1 B1 Te2'
_cell_volume   76.75
_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  0.71  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.83  1.0
  Te  Te3  1  0.0  0.0  0.6  1.0

data_NbBTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.1
_cell_length_b   3.52
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   105.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbBTe2
_chemical_formula_sum   'Nb2 B2 Te4'
_cell_volume   153.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.29  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.0  0.0  0.17  1.0
  Te  Te3  2  0.0  0.0  0.4  1.0

Nb B Te Te
Nb B Te Te 0 3 o o o 0 2 o o o 1 2 o o - 