# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27213072
_cell_length_b   8.62872765
_cell_length_c   47.32830139
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.43919718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr
_chemical_formula_sum   Cr68
_cell_volume   1689.5565548
_cell_formula_units_Z   68
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  Cr1  1  0.552815  0.146345  0.277653  1
  Cr  Cr2  1  0.779092  0.622905  0.290336  1
  Cr  Cr3  1  0.018989  0.921863  0.271752  1
  Cr  Cr4  1  0.237457  0.378295  0.284177  1
  Cr  Cr5  1  1.000465  0.116581  0.308507  1
  Cr  Cr6  1  0.247473  0.598079  0.320045  1
  Cr  Cr7  1  0.494169  0.861616  0.299179  1
  Cr  Cr8  1  0.743230  0.357385  0.314220  1
  Cr  Cr9  1  0.476470  0.087280  0.333417  1
  Cr  Cr10  1  0.726503  0.581501  0.346643  1
  Cr  Cr11  1  0.994463  0.844136  0.326901  1
  Cr  Cr12  1  0.247358  0.336105  0.340876  1
  Cr  Cr13  1  0.962780  0.068999  0.360288  1
  Cr  Cr14  1  0.208232  0.559386  0.372959  1
  Cr  Cr15  1  0.492044  0.825341  0.353287  1
  Cr  Cr16  1  0.740279  0.313020  0.366529  1
  Cr  Cr17  1  0.449845  0.047596  0.386315  1
  Cr  Cr18  1  0.694848  0.536302  0.399197  1
  Cr  Cr19  1  0.984755  0.803179  0.379639  1
  Cr  Cr20  1  0.230518  0.292376  0.393028  1
  Cr  Cr21  1  0.937996  0.025341  0.412537  1
  Cr  Cr22  1  0.183215  0.514824  0.425497  1
  Cr  Cr23  1  0.475150  0.781119  0.405841  1
  Cr  Cr24  1  0.719824  0.269918  0.419052  1
  Cr  Cr25  1  0.426609  0.003285  0.438686  1
  Cr  Cr26  1  0.671436  0.492312  0.451686  1
  Cr  Cr27  1  0.964064  0.758716  0.432058  1
  Cr  Cr28  1  0.208835  0.247903  0.445253  1
  Cr  Cr29  1  0.915460  0.981089  0.464853  1
  Cr  Cr30  1  0.160160  0.470228  0.477913  1
  Cr  Cr31  1  0.453172  0.736768  0.458277  1
  Cr  Cr32  1  0.697735  0.225715  0.471408  1
  Cr  Cr33  1  0.404321  0.958997  0.491024  1
  Cr  Cr34  1  0.648921  0.448050  0.504120  1
  Cr  Cr35  1  0.941970  0.714490  0.484475  1
  Cr  Cr36  1  0.186570  0.203542  0.497571  1
  Cr  Cr37  1  0.893155  0.936825  0.517187  1
  Cr  Cr38  1  0.137718  0.425771  0.530318  1
  Cr  Cr39  1  0.430730  0.692311  0.510682  1
  Cr  Cr40  1  0.675430  0.181450  0.523742  1
  Cr  Cr41  1  0.382055  0.914636  0.543342  1
  Cr  Cr42  1  0.626826  0.403823  0.556537  1
  Cr  Cr43  1  0.919454  0.670228  0.536909  1
  Cr  Cr44  1  0.164282  0.159254  0.549909  1
  Cr  Cr45  1  0.871067  0.892622  0.569543  1
  Cr  Cr46  1  0.115740  0.381420  0.582754  1
  Cr  Cr47  1  0.407675  0.647716  0.563098  1
  Cr  Cr48  1  0.652894  0.137198  0.576058  1
  Cr  Cr49  1  0.360372  0.870163  0.595568  1
  Cr  Cr50  1  0.606135  0.359361  0.608956  1
  Cr  Cr51  1  0.896042  0.626237  0.589398  1
  Cr  Cr52  1  0.141045  0.114943  0.602280  1
  Cr  Cr53  1  0.850611  0.849519  0.622066  1
  Cr  Cr54  1  0.098846  0.337199  0.635308  1
  Cr  Cr55  1  0.382658  0.603154  0.615636  1
  Cr  Cr56  1  0.628110  0.093540  0.628307  1
  Cr  Cr57  1  0.343533  0.826435  0.647719  1
  Cr  Cr58  1  0.596427  0.318403  0.661694  1
  Cr  Cr59  1  0.864387  0.581038  0.641952  1
  Cr  Cr60  1  0.114420  0.075259  0.655178  1
  Cr  Cr61  1  0.847660  0.805154  0.674375  1
  Cr  Cr62  1  0.096721  0.300923  0.689416  1
  Cr  Cr63  1  0.343417  0.564460  0.668550  1
  Cr  Cr64  1  0.590426  0.045959  0.680088  1
  Cr  Cr65  1  0.353433  0.784244  0.704418  1
  Cr  Cr66  1  0.571902  0.240676  0.716843  1
  Cr  Cr67  1  0.811798  0.539635  0.698259  1
  Cr  Cr68  1  0.038075  0.016194  0.710942  1
