# generated using pymatgen
data_CrH9(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88568000
_cell_length_b   8.26982003
_cell_length_c   11.76488929
_cell_angle_alpha   89.85570927
_cell_angle_beta   95.53332110
_cell_angle_gamma   108.79142042
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH9(CN2)3
_chemical_formula_sum   'Cr2 H18 C6 N12'
_cell_volume   539.34174890
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.50000000  0.00000000  0.00000000  1.0
  H  H2  1  0.55236900  0.62100200  0.58057800  1.0
  H  H3  1  0.22875000  0.99912300  0.90812000  1.0
  H  H4  1  0.86157800  0.52699800  0.26928900  1.0
  H  H5  1  0.44763100  0.37899800  0.41942200  1.0
  H  H6  1  0.77125000  0.00087700  0.09188000  1.0
  H  H7  1  0.13842200  0.47300200  0.73071100  1.0
  H  H8  1  0.60099400  0.66442100  0.63813700  1.0
  H  H9  1  0.65870700  0.98502900  0.32747000  1.0
  H  H10  1  0.35488500  0.10313000  0.53922000  1.0
  H  H11  1  0.39900600  0.33557900  0.36186300  1.0
  H  H12  1  0.34129300  0.01497100  0.67253000  1.0
  H  H13  1  0.64511500  0.89687000  0.46078000  1.0
  H  H14  1  0.76782100  0.39411100  0.14270500  1.0
  H  H15  1  0.65431500  0.33986500  0.60455400  1.0
  H  H16  1  0.92198300  0.53718300  0.80057800  1.0
  H  H17  1  0.23217900  0.60588900  0.85729500  1.0
  H  H18  1  0.34568500  0.66013500  0.39544600  1.0
  H  H19  1  0.07801700  0.46281700  0.19942200  1.0
  C  C20  1  0.59417200  0.24666100  0.67307900  1.0
  C  C21  1  0.01737400  0.22286600  0.92636000  1.0
  C  C22  1  0.91467600  0.49993400  0.18626500  1.0
  C  C23  1  0.40582800  0.75333900  0.32692100  1.0
  C  C24  1  0.98262600  0.77713400  0.07364000  1.0
  C  C25  1  0.08532400  0.50006600  0.81373500  1.0
  N  N26  1  0.10268600  0.00431600  0.37996800  1.0
  N  N27  1  0.95679500  0.64741800  0.12018900  1.0
  N  N28  1  0.95612000  0.13303500  0.64774800  1.0
  N  N29  1  0.89731400  0.99568400  0.62003200  1.0
  N  N30  1  0.04320500  0.35258200  0.87981100  1.0
  N  N31  1  0.04388000  0.86696500  0.35225200  1.0
  N  N32  1  0.64983800  0.89550000  0.90391200  1.0
  N  N33  1  0.21612500  0.15062000  0.14740800  1.0
  N  N34  1  0.57716900  0.88395700  0.37592900  1.0
  N  N35  1  0.35016200  0.10450000  0.09608800  1.0
  N  N36  1  0.78387500  0.84938000  0.85259200  1.0
  N  N37  1  0.42283100  0.11604300  0.62407100  1.0