data_Na2YAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.84
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   94.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YAu
_chemical_formula_sum   'Na2 Y1 Au1'
_cell_volume   111.8
_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  Na1  1  0.02  0.0  0.67  1.0
  Na  Na2  1  0.65  0.92  0.92  1.0
  Y  Y3  1  0.75  0.0  0.42  1.0
  Au  Au0  1  0.57  0.92  0.68  1.0

data_Na2YAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.84
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   94.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YAu
_chemical_formula_sum   'Na2 Y1 Au1'
_cell_volume   111.8
_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  0.02  0.0  0.67  1.0
  Na  Na1  1  0.65  0.92  0.92  1.0
  Y  Y2  1  0.75  0.0  0.42  1.0
  Au  Au3  1  0.57  0.92  0.68  1.0

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