data_NaZn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Cl
_chemical_formula_sum   'Na1 Zn2 Cl1'
_cell_volume   99.27
_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  0.46  1.0
  Zn  Zn2  1  0.87  0.87  0.02  1.0
  Zn  Zn3  1  0.0  0.0  0.93  1.0
  Cl  Cl0  1  0.87  0.87  0.2  1.0

data_NaZn2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZn2Cl
_chemical_formula_sum   'Na2 Zn4 Cl2'
_cell_volume   198.54
_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  0.46  1.0
  Zn  Zn1  2  0.0  0.0  0.93  1.0
  Zn  Zn2  2  0.37  0.5  0.02  1.0
  Cl  Cl3  2  0.37  0.5  0.2  1.0

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