data_NbAlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   33.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlSn2
_chemical_formula_sum   'Nb1 Al1 Sn2'
_cell_volume   83.69
_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  Nb1  1  0.35  0.0  0.41  1.0
  Al  Al0  1  0.0  0.0  0.86  1.0
  Sn  Sn2  1  0.0  0.0  0.81  1.0
  Sn  Sn3  1  0.35  0.0  0.37  1.0

data_NbAlSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.7
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlSn2
_chemical_formula_sum   'Nb1 Al1 Sn2'
_cell_volume   83.69
_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  0.59  0.35  0.59  1.0
  Al  Al1  1  0.14  0.0  0.14  1.0
  Sn  Sn2  1  0.19  0.0  0.19  1.0
  Sn  Sn3  1  0.63  0.35  0.63  1.0

Nb Al Sn Sn