data_Na2ZnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   121.05
_cell_angle_beta   121.05
_cell_angle_gamma   88.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnAu
_chemical_formula_sum   'Na2 Zn1 Au1'
_cell_volume   81.09
_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  0.0  0.0  0.0  1.0
  Na  Na2  1  0.4  0.0  0.75  1.0
  Zn  Zn3  1  0.0  0.0  0.51  1.0
  Au  Au0  1  0.0  0.4  0.75  1.0

data_Na2ZnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.89
_cell_angle_alpha   119.48
_cell_angle_beta   119.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnAu
_chemical_formula_sum   'Na2 Zn1 Au1'
_cell_volume   81.09
_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  0.0  0.0  1.0
  Na  Na1  1  0.25  0.0  0.65  1.0
  Zn  Zn2  1  0.49  0.0  0.49  1.0
  Au  Au3  1  0.65  0.4  0.65  1.0

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