# generated using pymatgen
data_KNiH9(CO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34345700
_cell_length_b   6.68502865
_cell_length_c   6.99472799
_cell_angle_alpha   116.23073063
_cell_angle_beta   89.83519940
_cell_angle_gamma   107.87549621
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNiH9(CO5)2
_chemical_formula_sum   'K1 Ni1 H9 C2 O10'
_cell_volume   210.71370025
_cell_formula_units_Z   1
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  0.00000000  1.0
  Ni  Ni1  1  0.50000000  0.50000000  0.50000000  1.0
  H  H2  1  0.35471300  0.00198400  0.87171700  1.0
  H  H3  1  0.64528700  0.99801600  0.12828300  1.0
  H  H4  1  0.41542300  0.40886700  0.75213900  1.0
  H  H5  1  0.58457700  0.59113300  0.24786100  1.0
  H  H6  1  0.00446500  0.17781300  0.58273200  1.0
  H  H7  1  0.99553600  0.82218700  0.41726800  1.0
  H  H8  1  0.19622800  0.00471500  0.60100400  1.0
  H  H9  1  0.80377200  0.99528500  0.39899600  1.0
  H  H10  1  0.00000000  0.50000000  0.00000000  1.0
  C  C11  1  0.62957100  0.71861900  0.79524800  1.0
  C  C12  1  0.37042900  0.28138100  0.20475200  1.0
  O  O13  1  0.45986700  0.25024700  0.76772100  1.0
  O  O14  1  0.54013300  0.74975300  0.23227900  1.0
  O  O15  1  0.13401200  0.25005100  0.50928200  1.0
  O  O16  1  0.86598800  0.74994900  0.49071800  1.0
  O  O17  1  0.71681300  0.03373800  0.70405600  1.0
  O  O18  1  0.28318700  0.96626200  0.29594400  1.0
  O  O19  1  0.39314000  0.66052000  0.74991400  1.0
  O  O20  1  0.60686000  0.33948000  0.25008600  1.0
  O  O21  1  0.80002100  0.43657800  0.94548900  1.0
  O  O22  1  0.19997900  0.56342200  0.05451100  1.0