data_NbBiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   134.51
_cell_angle_beta   134.51
_cell_angle_gamma   66.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiSb2
_chemical_formula_sum   'Nb1 Bi1 Sb2'
_cell_volume   99.78
_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
  Bi  Bi0  1  0.0  0.26  0.45  1.0
  Sb  Sb2  1  0.26  0.0  0.45  1.0
  Sb  Sb3  1  0.0  0.0  0.89  1.0

data_NbBiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.84
_cell_angle_alpha   112.74
_cell_angle_beta   112.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiSb2
_chemical_formula_sum   'Nb1 Bi1 Sb2'
_cell_volume   99.78
_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
  Bi  Bi1  1  0.19  0.45  0.19  1.0
  Sb  Sb2  1  0.45  0.19  0.19  1.0
  Sb  Sb3  1  0.89  0.89  0.89  1.0

Nb Bi Sb Sb
Nb Bi Sb Sb 0 3 o o - 0 1 o o o 0 2 o o o 1 2 o o o 