data_K2NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.49
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NiGe
_chemical_formula_sum   'K2 Ni1 Ge1'
_cell_volume   115.92
_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  K1  1  0.0  0.0  0.85  1.0
  K  K2  1  0.68  0.74  0.62  1.0
  Ni  Ni3  1  0.0  0.0  1.0  1.0
  Ge  Ge0  1  0.68  0.74  0.38  1.0

data_K2NiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.49
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NiGe
_chemical_formula_sum   'K2 Ni1 Ge1'
_cell_volume   115.92
_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  0.0  0.85  1.0
  K  K1  1  0.68  0.74  0.62  1.0
  Ni  Ni2  1  0.0  0.0  1.0  1.0
  Ge  Ge3  1  0.68  0.74  0.38  1.0

K K Ni Ge
K K Ni Ge 0 2 o o o 0 1 - - o 1 3 o o o 