data_NbInB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   149.31
_cell_angle_beta   146.64
_cell_angle_gamma   45.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInB2
_chemical_formula_sum   'Nb1 In1 B2'
_cell_volume   57.17
_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  0.0  0.0  0.05  1.0
  In  In2  1  0.56  0.0  0.14  1.0
  B  B0  1  0.56  0.0  0.17  1.0
  B  B1  1  0.0  0.0  0.9  1.0

data_NbInB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.38
_cell_length_c   5.89
_cell_angle_alpha   106.68
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInB2
_chemical_formula_sum   'Nb1 In1 B2'
_cell_volume   57.17
_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  0.0  0.05  0.05  1.0
  In  In1  1  0.0  0.14  0.58  1.0
  B  B2  1  0.0  0.17  0.61  1.0
  B  B3  1  0.0  0.9  0.9  1.0

Nb In B B