data_Ba2Na2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13
_cell_length_b   10.13
_cell_length_c   10.13
_cell_angle_alpha   154.7
_cell_angle_beta   154.7
_cell_angle_gamma   36.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Na2Zn
_chemical_formula_sum   'Ba2 Na2 Zn1'
_cell_volume   189.58
_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
  Ba  Ba0  1  0.0  0.0  0.38  1.0
  Ba  Ba1  1  0.0  0.0  0.89  1.0
  Na  Na2  1  0.0  0.22  0.82  1.0
  Na  Na3  1  0.22  0.0  0.82  1.0
  Zn  Zn4  1  0.0  0.0  0.0  1.0

data_Ba2Na2Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2Na2Zn
_chemical_formula_sum   'Ba4 Na4 Zn2'
_cell_volume   379.16
_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
  Ba  Ba0  2  0.0  0.0  0.11  1.0
  Ba  Ba1  2  0.0  0.0  0.62  1.0
  Na  Na2  4  0.11  0.11  0.4  1.0
  Zn  Zn3  2  0.0  0.0  0.0  1.0

Ba Ba Na Na Zn
Ba Ba Na Na Zn 0 2 o o o 0 3 o o o 1 4 o o + 2 3 o o o 