data_NaZnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnCu2
_chemical_formula_sum   'Na1 Zn1 Cu2'
_cell_volume   67.22
_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  0.0  0.54  1.0
  Zn  Zn3  1  0.52  0.52  0.95  1.0
  Cu  Cu0  1  0.0  0.0  0.09  1.0
  Cu  Cu1  1  0.52  0.52  0.32  1.0

data_NaZnCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZnCu2
_chemical_formula_sum   'Na2 Zn2 Cu4'
_cell_volume   134.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.54  1.0
  Zn  Zn1  2  0.02  0.5  0.95  1.0
  Cu  Cu2  2  0.0  0.0  0.09  1.0
  Cu  Cu3  2  0.02  0.5  0.32  1.0

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