data_K3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.3
_cell_length_c   10.88
_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   'K3 C1'
_cell_volume   191.43
_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  0.15  0.95  1.0
  K  K2  1  0.04  0.15  0.89  1.0
  K  K3  1  0.04  0.0  0.72  1.0
  C  C0  1  0.0  0.0  0.82  1.0

data_K3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.3
_cell_length_c   10.88
_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   'K3 C1'
_cell_volume   191.43
_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  0.0  0.15  0.95  1.0
  K  K1  1  0.04  0.0  0.72  1.0
  K  K2  1  0.04  0.15  0.89  1.0
  C  C3  1  0.0  0.0  0.82  1.0

K K K C
K K K C 0 1 o o o 1 3 o o o 2 3 o o o 