data_Na2AlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlAu
_chemical_formula_sum   'Na2 Al1 Au1'
_cell_volume   85.57
_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  Na2  1  0.41  0.59  0.57  1.0
  Na  Na3  1  0.41  0.41  0.57  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.82  0.0  0.0  1.0

data_Na2AlAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   119.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlAu
_chemical_formula_sum   'Na2 Al1 Au1'
_cell_volume   85.57
_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  0.57  0.41  0.41  1.0
  Na  Na1  1  0.57  0.41  0.59  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.82  0.0  1.0

Na Na Al Au
Na Na Al Au 0 1 o o o 2 3 - o o 