data_NaAl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   130.54
_cell_angle_beta   130.54
_cell_angle_gamma   72.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2In
_chemical_formula_sum   'Na1 Al2 In1'
_cell_volume   85.02
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.23  0.0  0.14  1.0
  Al  Al1  1  0.0  0.0  0.29  1.0
  In  In2  1  0.0  0.23  0.14  1.0

data_NaAl2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   5.32
_cell_angle_alpha   114.73
_cell_angle_beta   114.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2In
_chemical_formula_sum   'Na1 Al2 In1'
_cell_volume   85.02
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.14  0.92  0.92  1.0
  Al  Al2  1  0.29  0.29  0.29  1.0
  In  In3  1  0.92  0.14  0.92  1.0

Na Al Al In