data_Na2LiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   135.28
_cell_angle_beta   126.33
_cell_angle_gamma   72.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiAu
_chemical_formula_sum   'Na2 Li1 Au1'
_cell_volume   91.39
_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  0.0  0.48  0.33  1.0
  Na  Na3  1  0.0  0.0  0.36  1.0
  Li  Li1  1  0.0  0.0  0.32  1.0
  Au  Au0  1  0.0  0.48  0.26  1.0

data_Na2LiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.95
_cell_length_c   5.48
_cell_angle_alpha   116.84
_cell_angle_beta   112.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiAu
_chemical_formula_sum   'Na2 Li1 Au1'
_cell_volume   91.39
_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  0.64  0.64  0.64  1.0
  Na  Na1  1  0.67  0.15  0.15  1.0
  Li  Li2  1  0.68  0.68  0.68  1.0
  Au  Au3  1  0.74  0.21  0.21  1.0

Na Na Li Au
Na Na Li Au 0 3 o o o 1 2 o o o 