data_Na2ZnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.37
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnCu
_chemical_formula_sum   'Na2 Zn1 Cu1'
_cell_volume   89.93
_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  0.62  0.69  0.71  1.0
  Na  Na2  1  0.0  0.0  0.53  1.0
  Zn  Zn3  1  0.62  0.69  0.75  1.0
  Cu  Cu0  1  0.0  0.0  0.54  1.0

data_Na2ZnCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.37
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnCu
_chemical_formula_sum   'Na2 Zn1 Cu1'
_cell_volume   89.93
_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  0.53  1.0
  Na  Na1  1  0.62  0.69  0.71  1.0
  Zn  Zn2  1  0.62  0.69  0.75  1.0
  Cu  Cu3  1  0.0  0.0  0.54  1.0

Na Na Zn Cu
Na Na Zn Cu 0 2 o o o 1 3 o o o 