data_NbBiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   3.1
_cell_angle_alpha   92.01
_cell_angle_beta   92.01
_cell_angle_gamma   31.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiB2
_chemical_formula_sum   'Nb1 Bi1 B2'
_cell_volume   67.17
_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  Nb3  1  0.12  0.0  0.42  1.0
  Bi  Bi2  1  0.08  0.0  0.79  1.0
  B  B0  1  0.72  0.0  0.45  1.0
  B  B1  1  0.13  0.0  0.98  1.0

data_NbBiB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.48
_cell_length_c   6.48
_cell_angle_alpha   105.55
_cell_angle_beta   92.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiB2
_chemical_formula_sum   'Nb1 Bi1 B2'
_cell_volume   67.17
_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  0.58  0.0  0.88  1.0
  Bi  Bi1  1  0.21  0.0  0.92  1.0
  B  B2  1  0.02  0.0  0.87  1.0
  B  B3  1  0.55  0.0  0.28  1.0

Nb Bi B B
Nb Bi B B 0 1 o o o 0 3 o o - 0 2 - o o 1 3 o o o 1 2 - o + 1 2 - o o 2 3 + o - 2 3 + o o 2 2 o o + 