data_NbSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.79
_cell_angle_alpha   116.68
_cell_angle_beta   116.68
_cell_angle_gamma   26.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSbBr2
_chemical_formula_sum   'Nb1 Sb1 Br2'
_cell_volume   129.06
_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  0.65  0.0  0.25  1.0
  Sb  Sb3  1  0.99  0.0  0.31  1.0
  Br  Br0  1  0.86  0.0  0.39  1.0
  Br  Br1  1  0.9  0.0  0.08  1.0

data_NbSbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   6.79
_cell_length_c   6.89
_cell_angle_alpha   116.68
_cell_angle_beta   103.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSbBr2
_chemical_formula_sum   'Nb1 Sb1 Br2'
_cell_volume   129.06
_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  0.25  0.65  1.0
  Sb  Sb1  1  0.0  0.31  0.99  1.0
  Br  Br2  1  0.0  0.08  0.9  1.0
  Br  Br3  1  0.0  0.39  0.86  1.0

Nb Sb Br Br