data_KC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KC2
_chemical_formula_sum   'K2 C4'
_cell_volume   63.76
_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  K4  1  0.33  0.77  0.83  1.0
  K  K5  1  0.0  0.53  0.61  1.0
  C  C0  1  0.33  0.77  0.14  1.0
  C  C1  1  0.0  0.53  0.36  1.0
  C  C2  1  0.0  0.53  0.3  1.0
  C  C3  1  0.33  0.77  0.08  1.0

data_KC2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KC2
_chemical_formula_sum   'K2 C4'
_cell_volume   63.76
_cell_formula_units_Z   2
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  0.16  0.62  0.61  1.0
  C  C1  2  0.16  0.62  0.86  1.0
  C  C2  2  0.16  0.62  0.92  1.0

K K C C C C
K K C C C C 0 1 o o o 0 1 + + o 0 0 + + o 0 0 o + o 0 0 + o o 0 5 o o + 1 1 + + o 1 1 o + o 1 1 + o o 1 3 o o o 2 5 o o o 3 4 o o o 