# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22152896
_cell_length_b   8.44046430
_cell_length_c   49.32391966
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr
_chemical_formula_sum   Cr66
_cell_volume   1712.99262758
_cell_formula_units_Z   66
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  0.297920  0.801183  0.268494  1
  Cr  Cr2  1  0.426332  0.128927  0.281391  1
  Cr  Cr3  1  0.537752  0.448260  0.293037  1
  Cr  Cr4  1  0.867080  0.971649  0.274912  1
  Cr  Cr5  1  0.981817  0.287220  0.287768  1
  Cr  Cr6  1  0.093747  0.592505  0.302724  1
  Cr  Cr7  1  0.663712  0.748747  0.308223  1
  Cr  Cr8  1  0.771078  0.056846  0.321693  1
  Cr  Cr9  1  0.873018  0.364028  0.334543  1
  Cr  Cr10  1  0.218502  0.903640  0.315524  1
  Cr  Cr11  1  0.322143  0.212741  0.327624  1
  Cr  Cr12  1  0.432004  0.517714  0.341024  1
  Cr  Cr13  1  0.986285  0.672215  0.348441  1
  Cr  Cr14  1  0.094602  0.980220  0.361104  1
  Cr  Cr15  1  0.202059  0.287684  0.373827  1
  Cr  Cr16  1  0.541584  0.824880  0.354477  1
  Cr  Cr17  1  0.647281  0.133576  0.367436  1
  Cr  Cr18  1  0.756988  0.440837  0.380708  1
  Cr  Cr19  1  0.313282  0.594240  0.387344  1
  Cr  Cr20  1  0.421195  0.902260  0.400444  1
  Cr  Cr21  1  0.528791  0.210335  0.413451  1
  Cr  Cr22  1  0.867137  0.748581  0.394125  1
  Cr  Cr23  1  0.974761  0.056793  0.406951  1
  Cr  Cr24  1  0.084074  0.363857  0.420069  1
  Cr  Cr25  1  0.639179  0.517372  0.426819  1
  Cr  Cr26  1  0.747803  0.825303  0.439959  1
  Cr  Cr27  1  0.855773  0.133229  0.452941  1
  Cr  Cr28  1  0.194056  0.671106  0.433393  1
  Cr  Cr29  1  0.301641  0.979246  0.446385  1
  Cr  Cr30  1  0.410592  0.286769  0.459553  1
  Cr  Cr31  1  0.965775  0.440306  0.466207  1
  Cr  Cr32  1  0.074649  0.747936  0.479349  1
  Cr  Cr33  1  0.182530  0.055972  0.492368  1
  Cr  Cr34  1  0.520461  0.594044  0.472847  1
  Cr  Cr35  1  0.628342  0.902080  0.485866  1
  Cr  Cr36  1  0.737216  0.209710  0.499008  1
  Cr  Cr37  1  0.292399  0.363247  0.505662  1
  Cr  Cr38  1  0.401350  0.670769  0.518829  1
  Cr  Cr39  1  0.508936  0.978909  0.531822  1
  Cr  Cr40  1  0.847218  0.516786  0.512274  1
  Cr  Cr41  1  0.955188  0.824713  0.525256  1
  Cr  Cr42  1  0.063812  0.132644  0.538396  1
  Cr  Cr43  1  0.618917  0.286159  0.545146  1
  Cr  Cr44  1  0.728230  0.593223  0.558264  1
  Cr  Cr45  1  0.835854  0.901435  0.571089  1
  Cr  Cr46  1  0.174200  0.439681  0.551764  1
  Cr  Cr47  1  0.281796  0.747755  0.564771  1
  Cr  Cr48  1  0.389709  0.055776  0.577871  1
  Cr  Cr49  1  0.946003  0.209179  0.584507  1
  Cr  Cr50  1  0.055710  0.516440  0.597779  1
  Cr  Cr51  1  0.161407  0.825135  0.610738  1
  Cr  Cr52  1  0.500932  0.362332  0.591387  1
  Cr  Cr53  1  0.608389  0.669795  0.604111  1
  Cr  Cr54  1  0.716706  0.977801  0.616773  1
  Cr  Cr55  1  0.270987  0.132302  0.624191  1
  Cr  Cr56  1  0.380848  0.437275  0.637591  1
  Cr  Cr57  1  0.484489  0.746376  0.649691  1
  Cr  Cr58  1  0.829973  0.285988  0.630672  1
  Cr  Cr59  1  0.931913  0.593170  0.643522  1
  Cr  Cr60  1  0.039279  0.901269  0.656992  1
  Cr  Cr61  1  0.609244  0.057511  0.662490  1
  Cr  Cr62  1  0.721174  0.362796  0.677447  1
  Cr  Cr63  1  0.835911  0.678367  0.690303  1
  Cr  Cr64  1  0.165239  0.201756  0.672178  1
  Cr  Cr65  1  0.276660  0.521089  0.683824  1
  Cr  Cr66  1  0.405071  0.848833  0.696721  1
