data_KHfGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.3
_cell_angle_alpha   102.11
_cell_angle_beta   102.11
_cell_angle_gamma   32.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfGe2
_chemical_formula_sum   'K1 Hf1 Ge2'
_cell_volume   98.92
_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  0.46  0.0  0.25  1.0
  Hf  Hf2  1  0.75  0.0  0.9  1.0
  Ge  Ge0  1  0.86  0.0  0.98  1.0
  Ge  Ge1  1  0.92  0.0  0.23  1.0

data_KHfGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.5
_cell_length_c   6.3
_cell_angle_alpha   102.11
_cell_angle_beta   90.0
_cell_angle_gamma   106.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfGe2
_chemical_formula_sum   'K1 Hf1 Ge2'
_cell_volume   98.92
_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  0.54  0.75  1.0
  Hf  Hf1  1  0.0  0.25  0.1  1.0
  Ge  Ge2  1  0.0  0.08  0.77  1.0
  Ge  Ge3  1  0.0  0.14  0.02  1.0

K Hf Ge Ge