# generated using pymatgen
data_KH(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93340100
_cell_length_b   9.08421121
_cell_length_c   10.82630639
_cell_angle_alpha   103.48595829
_cell_angle_beta   92.82174791
_cell_angle_gamma   97.15038665
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KH(CN2)3
_chemical_formula_sum   'K2 H2 C6 N12'
_cell_volume   372.02220154
_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  0.80816100  0.19397900  0.94742100  1.0
  K  K1  1  0.19183900  0.80602100  0.05257900  1.0
  H  H2  1  0.16685300  0.26826800  0.38617900  1.0
  H  H3  1  0.83314700  0.73173200  0.61382100  1.0
  C  C4  1  0.48926100  0.48757000  0.83797800  1.0
  C  C5  1  0.51073900  0.51243000  0.16202200  1.0
  C  C6  1  0.15317100  0.30357700  0.67468000  1.0
  C  C7  1  0.84682900  0.69642300  0.32532000  1.0
  C  C8  1  0.83342000  0.12755000  0.26067700  1.0
  C  C9  1  0.16658000  0.87245000  0.73932300  1.0
  N  N10  1  0.63382200  0.61055600  0.89084900  1.0
  N  N11  1  0.36617800  0.38944400  0.10915100  1.0
  N  N12  1  0.34947900  0.34619700  0.79346600  1.0
  N  N13  1  0.65052100  0.65380300  0.20653400  1.0
  N  N14  1  0.10692100  0.41263100  0.61341800  1.0
  N  N15  1  0.89307900  0.58736900  0.38658200  1.0
  N  N16  1  0.01715400  0.15768000  0.63070700  1.0
  N  N17  1  0.98284600  0.84232000  0.36929300  1.0
  N  N18  1  0.73241500  0.03549300  0.16227700  1.0
  N  N19  1  0.26758500  0.96450700  0.83772300  1.0
  N  N20  1  0.91003300  0.22609400  0.36535400  1.0
  N  N21  1  0.08996700  0.77390600  0.63464600  1.0