data_NaAl2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Sb
_chemical_formula_sum   'Na2 Al4 Sb2'
_cell_volume   195.32
_cell_formula_units_Z   2
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
  Na  Na1  1  0.0  0.0  0.32  1.0
  Al  Al2  1  0.0  0.95  0.86  1.0
  Al  Al3  1  0.55  0.47  0.79  1.0
  Al  Al4  1  0.55  0.47  0.54  1.0
  Al  Al5  1  0.0  0.95  0.11  1.0
  Sb  Sb6  1  0.0  0.95  0.16  1.0
  Sb  Sb7  1  0.55  0.47  0.49  1.0

data_NaAl2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Sb
_chemical_formula_sum   'Na2 Al4 Sb2'
_cell_volume   195.32
_cell_formula_units_Z   2
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
  Na  Na1  1  0.0  0.0  0.32  1.0
  Al  Al2  1  -0.0  0.95  0.11  1.0
  Al  Al3  1  -0.0  0.95  0.86  1.0
  Al  Al4  1  0.55  0.47  0.54  1.0
  Al  Al5  1  0.55  0.47  0.79  1.0
  Sb  Sb6  1  -0.0  0.95  0.16  1.0
  Sb  Sb7  1  0.55  0.47  0.49  1.0

Na Na Al Al Al Al Sb Sb