data_K3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   8.25
_cell_length_c   10.5
_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   'K6 C2'
_cell_volume   359.82
_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  K2  1  0.08  0.0  0.22  1.0
  K  K3  1  0.0  0.13  0.28  1.0
  K  K4  1  0.0  0.91  0.0  1.0
  K  K5  1  0.0  0.34  0.0  1.0
  K  K6  1  0.08  0.79  0.5  1.0
  K  K7  1  0.08  0.46  0.5  1.0
  C  C0  1  0.0  0.0  0.29  1.0
  C  C1  1  0.08  0.13  0.21  1.0

data_K3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   8.25
_cell_length_c   10.5
_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   'K6 C2'
_cell_volume   359.82
_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  -0.0  0.91  0.0  1.0
  K  K1  1  -0.0  0.34  0.0  1.0
  K  K2  1  -0.0  0.13  0.28  1.0
  K  K3  1  0.08  0.0  0.22  1.0
  K  K4  1  0.08  0.46  0.5  1.0
  K  K5  1  0.08  0.79  0.5  1.0
  C  C6  1  0.0  0.0  0.29  1.0
  C  C7  1  0.08  0.13  0.21  1.0

K K K K K K C C
K K K K K K C C 0 6 o o o 0 2 o - o 1 7 o o o 1 3 o o o 2 7 o + o 2 3 o + o 3 7 o o o 4 6 o + o 4 5 o o o 