data_KGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   151.31
_cell_angle_beta   148.48
_cell_angle_gamma   43.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGeCl2
_chemical_formula_sum   'K1 Ge1 Cl2'
_cell_volume   111.39
_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
  K  K3  1  0.0  0.0  1.0  1.0
  Ge  Ge2  1  0.89  0.0  0.58  1.0
  Cl  Cl0  1  0.89  0.0  0.37  1.0
  Cl  Cl1  1  0.0  0.0  0.35  1.0

data_KGeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.15
_cell_length_c   7.63
_cell_angle_alpha   105.76
_cell_angle_beta   104.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGeCl2
_chemical_formula_sum   'K1 Ge1 Cl2'
_cell_volume   111.39
_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
  K  K0  1  0.0  1.0  1.0  1.0
  Ge  Ge1  1  0.0  0.58  0.69  1.0
  Cl  Cl2  1  0.0  0.35  0.35  1.0
  Cl  Cl3  1  0.0  0.37  0.48  1.0

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