data_K3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   11.96
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3C
_chemical_formula_sum   'K12 C4'
_cell_volume   677.27
_cell_formula_units_Z   4
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  K4  1  0.64  0.97  0.48  1.0
  K  K5  1  0.31  0.99  0.07  1.0
  K  K6  1  0.58  0.97  0.12  1.0
  K  K7  1  0.25  0.99  0.71  1.0
  K  K8  1  0.15  0.78  0.11  1.0
  K  K9  1  0.79  0.17  0.52  1.0
  K  K10  1  0.09  0.15  0.66  1.0
  K  K11  1  0.73  0.8  0.07  1.0
  K  K12  1  0.73  0.17  0.07  1.0
  K  K13  1  0.09  0.78  0.66  1.0
  K  K14  1  0.79  0.8  0.52  1.0
  K  K15  1  0.15  0.15  0.11  1.0
  C  C0  1  0.91  0.97  0.04  1.0
  C  C1  1  0.92  0.99  0.44  1.0
  C  C2  1  0.97  0.97  0.74  1.0
  C  C3  1  0.97  0.99  0.15  1.0

data_K3C
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.18
_cell_length_b   7.89
_cell_length_c   11.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K3C
_chemical_formula_sum   'K12 C4'
_cell_volume   677.27
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.02  0.71  0.3  1.0
  K  K1  2  0.02  0.71  0.67  1.0
  K  K2  2  0.02  0.14  0.49  1.0
  K  K3  2  0.38  0.19  0.49  1.0
  K  K4  2  0.43  0.35  0.7  1.0
  K  K5  2  0.43  0.35  0.33  1.0
  C  C6  2  0.06  0.53  0.51  1.0
  C  C7  2  0.35  0.47  0.51  1.0

K K K K K K K K K K K K C C C C
K K K K K K K K K K K K C C C C 0 2 o o o 0 10 o o o 0 13 o o o 0 5 o + o 1 4 o o o 1 3 o o - 1 11 o + o 1 15 - o o 1 2 o o o 2 7 o o o 2 8 o + o 2 12 o o o 3 14 - o o 3 6 o + o 3 9 o o o 4 9 o o - 4 12 - o o 4 7 - o o 4 15 - o o 5 13 o - o 5 6 + o o 5 8 o o o 6 13 - - o 6 14 - - o 7 12 o o o 8 12 o - o 8 11 + o o 8 15 o - o 9 10 - o o 9 14 - o o 10 13 o o o 10 14 o o o 11 15 - - o 12 15 o o o 12 14 o o - 13 14 o o o 13 15 o o o 