data_Nb2InCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.24
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   32.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InCl
_chemical_formula_sum   'Nb2 In1 Cl1'
_cell_volume   79.97
_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  Nb2  1  0.32  0.0  0.17  1.0
  Nb  Nb3  1  0.88  0.0  0.88  1.0
  In  In1  1  0.44  0.0  0.28  1.0
  Cl  Cl0  1  0.68  0.0  0.59  1.0

data_Nb2InCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.24
_cell_length_c   5.33
_cell_angle_alpha   99.44
_cell_angle_beta   106.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InCl
_chemical_formula_sum   'Nb2 In1 Cl1'
_cell_volume   79.97
_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  0.17  0.32  1.0
  Nb  Nb1  1  0.0  0.88  0.88  1.0
  In  In2  1  0.0  0.28  0.44  1.0
  Cl  Cl3  1  0.0  0.59  0.68  1.0

Nb Nb In Cl