data_NaGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   147.35
_cell_angle_beta   147.35
_cell_angle_gamma   46.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeCl2
_chemical_formula_sum   'Na1 Ge1 Cl2'
_cell_volume   95.98
_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
  Ge  Ge2  1  0.0  0.94  0.17  1.0
  Cl  Cl0  1  0.94  0.0  0.17  1.0
  Cl  Cl1  1  0.0  0.0  0.35  1.0

data_NaGeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   6.92
_cell_angle_alpha   106.33
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeCl2
_chemical_formula_sum   'Na1 Ge1 Cl2'
_cell_volume   95.98
_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
  Ge  Ge1  1  0.77  0.94  0.77  1.0
  Cl  Cl2  1  0.65  0.0  0.65  1.0
  Cl  Cl3  1  0.83  0.0  0.77  1.0

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