data_NaGa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGa2Cl
_chemical_formula_sum   'Na1 Ga2 Cl1'
_cell_volume   96.71
_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  Na3  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.73  0.0  0.01  1.0
  Ga  Ga2  1  0.73  0.0  0.73  1.0
  Cl  Cl0  1  0.0  0.0  0.87  1.0

data_NaGa2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGa2Cl
_chemical_formula_sum   'Na1 Ga2 Cl1'
_cell_volume   96.71
_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  0.0  1.0
  Ga  Ga1  1  0.73  0.0  0.01  1.0
  Ga  Ga2  1  0.73  0.0  0.73  1.0
  Cl  Cl3  1  0.0  0.0  0.87  1.0

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