data_Na2AgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.28
_cell_angle_alpha   100.18
_cell_angle_beta   100.18
_cell_angle_gamma   34.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AgAu
_chemical_formula_sum   'Na2 Ag1 Au1'
_cell_volume   83.31
_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  0.8  0.0  0.86  1.0
  Na  Na3  1  0.44  0.0  0.33  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.62  0.0  0.59  1.0

data_Na2AgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.28
_cell_length_c   5.34
_cell_angle_alpha   100.18
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AgAu
_chemical_formula_sum   'Na2 Ag1 Au1'
_cell_volume   83.31
_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  0.33  0.44  1.0
  Na  Na1  1  0.0  0.86  0.8  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.59  0.62  1.0

Na Na Ag Au
Na Na Ag Au 0 2 + o + 0 3 o o o 1 3 o o o 