data_NaGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeCl2
_chemical_formula_sum   'Na1 Ge1 Cl2'
_cell_volume   94.02
_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  Na3  1  0.0  0.0  0.74  1.0
  Ge  Ge2  1  0.64  0.0  0.78  1.0
  Cl  Cl0  1  0.64  0.0  0.71  1.0
  Cl  Cl1  1  0.0  0.0  0.83  1.0

data_NaGeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeCl2
_chemical_formula_sum   'Na1 Ge1 Cl2'
_cell_volume   94.02
_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  Na0  1  0.0  0.0  0.74  1.0
  Ge  Ge1  1  0.64  0.0  0.78  1.0
  Cl  Cl2  1  0.0  0.0  0.83  1.0
  Cl  Cl3  1  0.64  0.0  0.71  1.0

Na Ge Cl Cl
Na Ge Cl Cl 0 3 o o o 1 2 o o o 