# generated using pymatgen
data_KHCO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56885574
_cell_length_b   4.56885574
_cell_length_c   7.05183000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.05399808
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHCO2
_chemical_formula_sum   'K2 H2 C2 O4'
_cell_volume   145.36894138
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.50000000  1.0
  K  K1  1  0.00000000  0.00000000  0.00000000  1.0
  H  H2  1  0.44160200  0.55839800  0.25000000  1.0
  H  H3  1  0.55839800  0.44160200  0.75000000  1.0
  C  C4  1  0.60183600  0.39816400  0.25000000  1.0
  C  C5  1  0.39816400  0.60183600  0.75000000  1.0
  O  O6  1  0.49474000  0.12337600  0.25000000  1.0
  O  O7  1  0.12337600  0.49474000  0.75000000  1.0
  O  O8  1  0.50526000  0.87662400  0.75000000  1.0
  O  O9  1  0.87662400  0.50526000  0.25000000  1.0