# generated using pymatgen
data_CrH4C4(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45628121
_cell_length_b   6.51350217
_cell_length_c   9.91529344
_cell_angle_alpha   89.99991605
_cell_angle_beta   90.00048391
_cell_angle_gamma   101.26454300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH4C4(N4O)2
_chemical_formula_sum   'Cr2 H8 C8 N16 O4'
_cell_volume   408.93527058
_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  0.99999435  0.99999583  0.49999942  1
  Cr  Cr1  1  0.00000583  0.50000388  0.99999887  1
  H  H2  1  0.75244337  0.50852296  0.68422978  1
  H  H3  1  0.24756470  0.99148078  0.18422838  1
  H  H4  1  0.24753630  0.49146733  0.31577999  1
  H  H5  1  0.75245097  0.00853061  0.81577232  1
  H  H6  1  0.43058740  0.83010684  0.41020944  1
  H  H7  1  0.56940372  0.66989434  0.91020327  1
  H  H8  1  0.56939541  0.16988468  0.58979813  1
  H  H9  1  0.43060882  0.33011656  0.08979580  1
  C  C10  1  0.64250226  0.50411138  0.60129074  1
  C  C11  1  0.35750111  0.99589002  0.10128871  1
  C  C12  1  0.35748118  0.49588045  0.39871701  1
  C  C13  1  0.64251165  0.00412005  0.89871112  1
  C  C14  1  0.46389243  0.68299062  0.44705698  1
  C  C15  1  0.53610142  0.81701025  0.94705161  1
  C  C16  1  0.53609111  0.31700066  0.55295027  1
  C  C17  1  0.46391098  0.18300008  0.05294749  1
  N  N18  1  0.98044252  0.74641287  0.36598916  1
  N  N19  1  0.01955319  0.75358597  0.86598864  1
  N  N20  1  0.01954157  0.25357878  0.63400947  1
  N  N21  1  0.98046166  0.24642154  0.13400960  1
  N  N22  1  0.90217502  0.69769080  0.25975584  1
  N  N23  1  0.09782477  0.80231043  0.75975660  1
  N  N24  1  0.09782120  0.30230748  0.74024084  1
  N  N25  1  0.90218023  0.19769054  0.24023866  1
  N  N26  1  0.61259149  0.68773654  0.54522035  1
  N  N27  1  0.38740929  0.81226481  0.04521796  1
  N  N28  1  0.38739606  0.31225426  0.45478450  1
  N  N29  1  0.61260165  0.18774535  0.95478105  1
  N  N30  1  0.83880139  0.64684028  0.15027635  1
  N  N31  1  0.16120238  0.85316074  0.65027929  1
  N  N32  1  0.16120733  0.35316168  0.84971563  1
  N  N33  1  0.83879280  0.14683544  0.34971298  1
  O  O34  1  0.72234603  0.87158916  0.58943218  1
  O  O35  1  0.27765664  0.62841305  0.08943170  1
  O  O36  1  0.27764377  0.12840232  0.41056846  1
  O  O37  1  0.72235423  0.37159638  0.91056616  1
