data_BaNbIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   7.31
_cell_angle_alpha   96.27
_cell_angle_beta   96.27
_cell_angle_gamma   37.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbIn2
_chemical_formula_sum   'Ba1 Nb1 In2'
_cell_volume   115.74
_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
  Ba  Ba0  1  0.45  0.0  0.63  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.07  0.0  0.32  1.0
  In  In2  1  0.84  0.0  0.95  1.0

data_BaNbIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.14
_cell_length_c   7.31
_cell_angle_alpha   96.27
_cell_angle_beta   90.0
_cell_angle_gamma   108.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbIn2
_chemical_formula_sum   'Ba1 Nb1 In2'
_cell_volume   115.74
_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
  Ba  Ba0  1  0.0  0.55  0.37  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.16  0.05  1.0
  In  In3  1  0.0  0.93  0.68  1.0

Ba Nb In In