data_KGe2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   61.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2N3
_chemical_formula_sum   'K2 Ge4 N6'
_cell_volume   162.04
_cell_formula_units_Z   2
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  0.05  0.93  0.52  1.0
  K  K1  1  0.05  0.07  0.18  1.0
  Ge  Ge2  1  0.75  0.87  0.64  1.0
  Ge  Ge3  1  0.36  0.87  0.64  1.0
  Ge  Ge4  1  0.36  0.13  0.3  1.0
  Ge  Ge5  1  0.75  0.13  0.3  1.0
  N  N6  1  0.37  0.71  0.43  1.0
  N  N7  1  0.73  0.71  0.43  1.0
  N  N8  1  0.73  0.29  0.77  1.0
  N  N9  1  0.37  0.29  0.77  1.0
  N  N10  1  0.05  0.77  0.1  1.0
  N  N11  1  0.05  0.23  0.44  1.0

data_KGe2N3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   118.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2N3
_chemical_formula_sum   'K2 Ge4 N6'
_cell_volume   162.04
_cell_formula_units_Z   2
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  0.48  0.05  0.07  1.0
  K  K1  1  0.82  0.05  0.93  1.0
  Ge  Ge2  1  0.36  0.36  0.13  1.0
  Ge  Ge3  1  0.36  0.75  0.13  1.0
  Ge  Ge4  1  0.7  0.36  0.87  1.0
  Ge  Ge5  1  0.7  0.75  0.87  1.0
  N  N6  1  0.23  0.37  0.71  1.0
  N  N7  1  0.23  0.73  0.71  1.0
  N  N8  1  0.56  0.05  0.77  1.0
  N  N9  1  0.57  0.37  0.29  1.0
  N  N10  1  0.57  0.73  0.29  1.0
  N  N11  1  0.9  0.05  0.23  1.0

K K Ge Ge Ge Ge N N N N N N
K K Ge Ge Ge Ge N N N N N N 0 2 - o o 0 5 - + o 0 6 o o o 0 3 o o o 0 11 o + o 0 1 o + o 0 8 - + o 1 10 o - o 1 5 - o o 1 11 o o o 1 4 o o o 1 8 - o - 2 7 o o o 2 8 o + o 2 9 o + o 3 6 o o o 3 9 o + o 4 11 o o o 4 9 o o o 5 10 + - o 5 11 + o o 5 8 o o o 8 9 o o o 8 11 + o o 9 11 o o o 