data_K2HfGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   6.24
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   101.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfGe
_chemical_formula_sum   'K2 Hf1 Ge1'
_cell_volume   113.28
_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  K2  1  0.56  0.12  0.21  1.0
  K  K3  1  0.89  0.12  0.02  1.0
  Hf  Hf1  1  0.22  0.0  0.62  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_K2HfGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.33
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfGe
_chemical_formula_sum   'K2 Hf1 Ge1'
_cell_volume   113.28
_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  0.11  0.98  0.88  1.0
  K  K1  1  0.44  0.79  0.88  1.0
  Hf  Hf2  1  0.78  0.38  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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