# generated using pymatgen
data_CrH3(CN2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84196801
_cell_length_b   7.83031635
_cell_length_c   9.01499996
_cell_angle_alpha   87.03546834
_cell_angle_beta   82.01961145
_cell_angle_gamma   68.05287722
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH3(CN2)4
_chemical_formula_sum   'Cr2 H6 C8 N16'
_cell_volume   378.79603615
_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  0.19299066  0.61389398  -0.00001436  1
  Cr  Cr1  1  0.80701244  0.38610216  1.00001411  1
  H  H2  1  0.93701259  0.70237971  0.34605743  1
  H  H3  1  0.36049463  0.70214803  0.65382148  1
  H  H4  1  0.06298662  0.29762179  0.65394441  1
  H  H5  1  0.63950523  0.29785340  0.34617716  1
  H  H6  1  0.72384223  0.00013078  0.48717116  1
  H  H7  1  0.27615593  0.99987105  0.51282868  1
  C  C8  1  0.90472265  0.83453956  0.29056499  1
  C  C9  1  0.26067014  0.83431821  0.70938522  1
  C  C10  1  0.09527648  0.16546100  0.70943546  1
  C  C11  1  0.73932916  0.16568233  0.29061424  1
  C  C12  1  0.78474109  0.00012763  0.36711924  1
  C  C13  1  0.21525749  0.99987347  0.63288054  1
  C  C14  1  0.94839510  0.00004601  0.07612388  1
  C  C15  1  0.05160495  0.99995194  0.92387623  1
  N  N16  1  0.98263575  0.83306216  0.14077703  1
  N  N17  1  0.18414340  0.83289938  0.85916751  1
  N  N18  1  0.01736332  0.16693627  0.85922329  1
  N  N19  1  0.81585782  0.16709912  0.14083198  1
  N  N20  1  0.07361679  0.42691431  0.12272518  1
  N  N21  1  0.49963995  0.42685451  0.87729311  1
  N  N22  1  0.92639212  0.57307994  0.87727659  1
  N  N23  1  0.50036090  0.57314093  0.12270434  1
  N  N24  1  0.12258022  0.36125746  0.24630917  1
  N  N25  1  0.51620598  0.36116129  0.75373692  1
  N  N26  1  0.87741833  0.63874336  0.75369573  1
  N  N27  1  0.48379701  0.63884041  0.24625771  1
  N  N28  1  0.16616306  0.29840184  0.36271946  1
  N  N29  1  0.53545074  0.29831890  0.63732012  1
  N  N30  1  0.83382923  0.70160432  0.63728796  1
  N  N31  1  0.46455340  0.70168697  0.36267242  1
