data_[K16Ti8C32O92]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.6175]
_cell_length_b [14.5061]
_cell_length_c [14.0638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K4Ti2C8O23]
_chemical_formula_sum '[K16 Ti8 C32 O92]'
_cell_volume [2311.3793]
_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  K0  4  0.0319  0.7055  0.7118  1
  K  K1  4  0.1515  0.0475  0.4184  1
  K  K2  4  0.2843  0.6043  0.3730  1
  K  K3  4  0.4939  0.6396  0.9514  1
  Ti  Ti4  4  0.3924  0.0978  0.1102  1
  Ti  Ti5  4  0.4943  0.6337  0.5961  1
  C  C6  4  0.1607  0.1724  0.0242  1
  C  C7  4  0.2315  0.2430  0.5760  1
  C  C8  4  0.2563  0.1265  0.8141  1
  C  C9  4  0.2791  0.2310  0.8371  1
  C  C10  4  0.2839  0.7323  0.6161  1
  C  C11  4  0.3418  0.7001  0.7223  1
  C  C12  4  0.3880  0.0487  0.3094  1
  C  C13  4  0.4824  0.5756  0.1890  1
  O  O14  4  0.0294  0.5355  0.4007  1
  O  O15  4  0.0525  0.0046  0.1621  1
  O  O16  4  0.0559  0.1780  0.9831  1
  O  O17  4  0.0643  0.6593  0.9298  1
  O  O18  4  0.1033  0.5745  0.1767  1
  O  O19  4  0.1505  0.5401  0.1147  1
  O  O20  4  0.1564  0.0949  0.7842  1
  O  O21  4  0.1837  0.7341  0.0969  1
  O  O22  4  0.1900  0.1638  0.5656  1
  O  O23  4  0.1944  0.2146  0.3286  1
  O  O24  4  0.2275  0.0993  0.0276  1
  O  O25  4  0.2917  0.7146  0.7907  1
  O  O26  4  0.3181  0.0595  0.2258  1
  O  O27  4  0.3356  0.2343  0.1242  1
  O  O28  4  0.3504  0.7172  0.5546  1
  O  O29  4  0.3529  0.0766  0.8352  1
  O  O30  4  0.3618  0.0189  0.3853  1
  O  O31  4  0.3897  0.2494  0.8691  1
  O  O32  4  0.4040  0.5669  0.1147  1
  O  O33  4  0.4134  0.5247  0.5797  1
  O  O34  4  0.4407  0.6585  0.7275  1
  O  O35  4  0.4695  0.6067  0.2734  1
  O  O36  4  0.4847  0.1459  0.0298  1
]