data_Nb2AlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.36
_cell_angle_alpha   118.18
_cell_angle_beta   118.18
_cell_angle_gamma   30.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlCl
_chemical_formula_sum   'Nb2 Al1 Cl1'
_cell_volume   70.67
_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  0.38  0.0  0.25  1.0
  Nb  Nb3  1  0.44  0.0  0.42  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.91  0.0  0.34  1.0

data_Nb2AlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.36
_cell_length_c   5.42
_cell_angle_alpha   118.18
_cell_angle_beta   105.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlCl
_chemical_formula_sum   'Nb2 Al1 Cl1'
_cell_volume   70.67
_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  0.25  0.38  1.0
  Nb  Nb1  1  0.0  0.42  0.44  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.34  0.91  1.0

Nb Nb Al Cl