data_NbIn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.43
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn2B
_chemical_formula_sum   'Nb1 In2 B1'
_cell_volume   74.51
_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  0.62  0.71  0.87  1.0
  In  In1  1  0.62  0.71  0.1  1.0
  In  In2  1  0.0  0.0  0.81  1.0
  B  B0  1  0.0  0.0  0.27  1.0

data_NbIn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.43
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn2B
_chemical_formula_sum   'Nb1 In2 B1'
_cell_volume   74.51
_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  0.62  0.71  0.87  1.0
  In  In1  1  0.0  0.0  0.81  1.0
  In  In2  1  0.62  0.71  0.1  1.0
  B  B3  1  0.0  0.0  0.27  1.0

Nb In In B
Nb In In B 0 2 + + o 0 1 o o + 1 3 + + o 