data_[K4Ti4C4O20]
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 [C2/c]
_cell_length_a [6.7785]
_cell_length_b [8.8862]
_cell_length_c [7.0919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KTiCO5]
_chemical_formula_sum '[K4 Ti4 C4 O20]'
_cell_volume [376.3651]
_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  0.0000  0.3370  0.2500  1
  Ti  Ti1  4  0.0000  0.0000  0.0000  1
  C  C2  4  0.0000  0.2951  0.7500  1
  O  O3  8  0.0662  0.2082  0.6256  1
  O  O4  8  0.1678  0.3975  0.8822  1
  O  O5  4  0.0000  0.0612  0.2500  1
]