data_[K4C4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [4.0057]
_cell_length_b [5.7870]
_cell_length_c [15.3287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KCO3]
_chemical_formula_sum '[K4 C4 O12]'
_cell_volume [350.4557]
_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  0.3041  0.0269  0.1498  1.0
  C  C1  4  0.1352  0.0294  0.3714  1.0
  O  O2  4  0.0874  0.5381  0.2000  1.0
  O  O3  4  0.2264  0.6675  0.9049  1.0
  O  O4  4  0.2598  0.2184  0.4059  1.0
]