data_KNb2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   151.33
_cell_angle_beta   125.19
_cell_angle_gamma   63.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2Ge
_chemical_formula_sum   'K1 Nb2 Ge1'
_cell_volume   92.83
_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  0.65  1.0
  Nb  Nb2  1  0.0  0.86  0.81  1.0
  Nb  Nb3  1  0.0  0.0  0.01  1.0
  Ge  Ge0  1  0.0  0.86  0.4  1.0

data_KNb2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.71
_cell_length_c   6.2
_cell_angle_alpha   117.4
_cell_angle_beta   104.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2Ge
_chemical_formula_sum   'K1 Nb2 Ge1'
_cell_volume   92.83
_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  0.35  0.35  0.35  1.0
  Nb  Nb1  1  0.19  0.04  0.04  1.0
  Nb  Nb2  1  0.99  0.99  0.99  1.0
  Ge  Ge3  1  0.6  0.46  0.46  1.0

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