# generated using pymatgen
data_KHCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60651043
_cell_length_b   3.65240247
_cell_length_c   15.04573194
_cell_angle_alpha   75.59534779
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHCO3
_chemical_formula_sum   'K4 H4 C4 O12'
_cell_volume   298.40935953
_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  1  0.52527520  0.96076482  0.66585803  1.0
  K  K1  1  0.02527520  0.03923518  0.83414197  1.0
  K  K2  1  0.47472480  0.03923518  0.33414197  1.0
  K  K3  1  0.97472480  0.96076482  0.16585803  1.0
  H  H4  1  0.19136344  0.51553772  0.51450069  1.0
  H  H5  1  0.69136344  0.48446228  0.98549931  1.0
  H  H6  1  0.80863656  0.48446228  0.48549931  1.0
  H  H7  1  0.30863656  0.51553772  0.01450069  1.0
  C  C8  1  0.01574467  0.61458571  0.61906972  1.0
  C  C9  1  0.51574467  0.38541429  0.88093028  1.0
  C  C10  1  0.98425533  0.38541429  0.38093028  1.0
  C  C11  1  0.48425533  0.61458571  0.11906972  1.0
  O  O12  1  0.03246343  0.70878536  0.69364452  1.0
  O  O13  1  0.53246343  0.29121464  0.80635548  1.0
  O  O14  1  0.96753657  0.29121464  0.30635548  1.0
  O  O15  1  0.46753657  0.70878536  0.19364452  1.0
  O  O16  1  0.82092186  0.55832103  0.58095098  1.0
  O  O17  1  0.32092186  0.44167897  0.91904902  1.0
  O  O18  1  0.17907814  0.44167897  0.41904902  1.0
  O  O19  1  0.67907814  0.55832103  0.08095098  1.0
  O  O20  1  0.22309836  0.56961398  0.57689214  1.0
  O  O21  1  0.72309836  0.43038602  0.92310786  1.0
  O  O22  1  0.77690164  0.43038602  0.42310786  1.0
  O  O23  1  0.27690164  0.56961398  0.07689214  1.0