data_AlIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.59
_cell_angle_alpha   106.79
_cell_angle_beta   106.79
_cell_angle_gamma   34.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIn2Sn
_chemical_formula_sum   'Al1 In2 Sn1'
_cell_volume   99.94
_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
  Al  Al0  1  0.87  0.0  0.34  1.0
  In  In1  1  0.13  0.0  0.05  1.0
  In  In2  1  0.49  0.0  0.02  1.0
  Sn  Sn3  1  0.54  0.0  0.58  1.0

data_AlIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.59
_cell_length_c   5.78
_cell_angle_alpha   106.79
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIn2Sn
_chemical_formula_sum   'Al1 In2 Sn1'
_cell_volume   99.94
_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
  Al  Al0  1  0.0  0.34  0.87  1.0
  In  In1  1  0.0  0.02  0.49  1.0
  In  In2  1  0.0  0.05  0.13  1.0
  Sn  Sn3  1  0.0  0.58  0.54  1.0

Al In In Sn