data_Na2ZnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnGa
_chemical_formula_sum   'Na2 Zn1 Ga1'
_cell_volume   97.02
_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  0.58  1.0
  Na  Na2  1  0.75  0.75  0.36  1.0
  Zn  Zn3  1  0.0  0.0  0.39  1.0
  Ga  Ga0  1  0.75  0.75  0.53  1.0

data_Na2ZnGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2ZnGa
_chemical_formula_sum   'Na4 Zn2 Ga2'
_cell_volume   194.04
_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  0.58  1.0
  Na  Na1  2  0.25  0.5  0.36  1.0
  Zn  Zn2  2  0.0  0.0  0.39  1.0
  Ga  Ga3  2  0.25  0.5  0.53  1.0

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