# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07747485
_cell_length_b   11.25730994
_cell_length_c   49.44518170
_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   Cr108
_cell_volume   2754.66114901
_cell_formula_units_Z   108
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  0.504834  0.007026  0.316188  1
  Cr  Cr2  1  0.191861  0.381035  0.282708  1
  Cr  Cr3  1  0.346083  0.689317  0.298000  1
  Cr  Cr4  1  0.346083  0.189317  0.298000  1
  Cr  Cr5  1  0.504834  0.507026  0.316188  1
  Cr  Cr6  1  0.191861  0.881035  0.282708  1
  Cr  Cr7  1  0.846083  0.189317  0.298000  1
  Cr  Cr8  1  0.004834  0.507026  0.316188  1
  Cr  Cr9  1  0.691861  0.881035  0.282708  1
  Cr  Cr10  1  0.004834  0.007026  0.316188  1
  Cr  Cr11  1  0.691861  0.381035  0.282708  1
  Cr  Cr12  1  0.846083  0.689317  0.298000  1
  Cr  Cr13  1  0.976780  0.952160  0.365292  1
  Cr  Cr14  1  0.660874  0.319526  0.331950  1
  Cr  Cr15  1  0.820123  0.638284  0.349048  1
  Cr  Cr16  1  0.820123  0.138284  0.349048  1
  Cr  Cr17  1  0.976780  0.452160  0.365292  1
  Cr  Cr18  1  0.660874  0.819526  0.331950  1
  Cr  Cr19  1  0.320123  0.138284  0.349048  1
  Cr  Cr20  1  0.476780  0.452160  0.365292  1
  Cr  Cr21  1  0.160874  0.819526  0.331950  1
  Cr  Cr22  1  0.476780  0.952160  0.365292  1
  Cr  Cr23  1  0.160874  0.319526  0.331950  1
  Cr  Cr24  1  0.320123  0.638284  0.349048  1
  Cr  Cr25  1  0.450001  0.899685  0.415583  1
  Cr  Cr26  1  0.134989  0.268851  0.382317  1
  Cr  Cr27  1  0.292094  0.583549  0.398755  1
  Cr  Cr28  1  0.292094  0.083549  0.398755  1
  Cr  Cr29  1  0.450001  0.399685  0.415583  1
  Cr  Cr30  1  0.134989  0.768851  0.382317  1
  Cr  Cr31  1  0.792094  0.083549  0.398755  1
  Cr  Cr32  1  0.950001  0.399685  0.415583  1
  Cr  Cr33  1  0.634989  0.768851  0.382317  1
  Cr  Cr34  1  0.950001  0.899685  0.415583  1
  Cr  Cr35  1  0.634989  0.268851  0.382317  1
  Cr  Cr36  1  0.792094  0.583549  0.398755  1
  Cr  Cr37  1  0.922543  0.845992  0.465551  1
  Cr  Cr38  1  0.607334  0.214800  0.432178  1
  Cr  Cr39  1  0.765062  0.530610  0.448910  1
  Cr  Cr40  1  0.765062  0.030610  0.448910  1
  Cr  Cr41  1  0.922543  0.345992  0.465551  1
  Cr  Cr42  1  0.607334  0.714800  0.432178  1
  Cr  Cr43  1  0.265062  0.030610  0.448910  1
  Cr  Cr44  1  0.422543  0.345992  0.465551  1
  Cr  Cr45  1  0.107334  0.714800  0.432178  1
  Cr  Cr46  1  0.422543  0.845992  0.465551  1
  Cr  Cr47  1  0.107334  0.214800  0.432178  1
  Cr  Cr48  1  0.265062  0.530610  0.448910  1
  Cr  Cr49  1  0.395280  0.792641  0.515594  1
  Cr  Cr50  1  0.080163  0.161612  0.482254  1
  Cr  Cr51  1  0.237722  0.477126  0.498924  1
  Cr  Cr52  1  0.237722  0.977126  0.498924  1
  Cr  Cr53  1  0.395280  0.292641  0.515594  1
  Cr  Cr54  1  0.080163  0.661612  0.482254  1
  Cr  Cr55  1  0.737722  0.977126  0.498924  1
  Cr  Cr56  1  0.895280  0.292641  0.515594  1
  Cr  Cr57  1  0.580163  0.661612  0.482254  1
  Cr  Cr58  1  0.895280  0.792641  0.515594  1
  Cr  Cr59  1  0.580163  0.161612  0.482254  1
  Cr  Cr60  1  0.737722  0.477126  0.498924  1
  Cr  Cr61  1  0.868109  0.739452  0.565670  1
  Cr  Cr62  1  0.552900  0.108261  0.532298  1
  Cr  Cr63  1  0.710382  0.423642  0.548938  1
  Cr  Cr64  1  0.710382  0.923642  0.548938  1
  Cr  Cr65  1  0.868109  0.239452  0.565670  1
  Cr  Cr66  1  0.552900  0.608261  0.532298  1
  Cr  Cr67  1  0.210382  0.923642  0.548938  1
  Cr  Cr68  1  0.368109  0.239452  0.565670  1
  Cr  Cr69  1  0.052900  0.608261  0.532298  1
  Cr  Cr70  1  0.368109  0.739452  0.565670  1
  Cr  Cr71  1  0.052900  0.108261  0.532298  1
  Cr  Cr72  1  0.210382  0.423642  0.548938  1
  Cr  Cr73  1  0.340454  0.685401  0.615531  1
  Cr  Cr74  1  0.025442  0.054567  0.582265  1
  Cr  Cr75  1  0.183350  0.370703  0.599093  1
  Cr  Cr76  1  0.183350  0.870703  0.599093  1
  Cr  Cr77  1  0.340454  0.185401  0.615531  1
  Cr  Cr78  1  0.025442  0.554567  0.582265  1
  Cr  Cr79  1  0.683350  0.870703  0.599093  1
  Cr  Cr80  1  0.840454  0.185401  0.615531  1
  Cr  Cr81  1  0.525442  0.554567  0.582265  1
  Cr  Cr82  1  0.840454  0.685401  0.615531  1
  Cr  Cr83  1  0.525442  0.054567  0.582265  1
  Cr  Cr84  1  0.683350  0.370703  0.599093  1
  Cr  Cr85  1  0.814569  0.634726  0.665899  1
  Cr  Cr86  1  0.498663  1.002093  0.632556  1
  Cr  Cr87  1  0.655320  0.315968  0.648800  1
  Cr  Cr88  1  0.655320  0.815968  0.648800  1
  Cr  Cr89  1  0.814569  0.134726  0.665899  1
  Cr  Cr90  1  0.498663  0.502093  0.632556  1
  Cr  Cr91  1  0.155320  0.815968  0.648800  1
  Cr  Cr92  1  0.314569  0.134726  0.665899  1
  Cr  Cr93  1  0.998663  0.502093  0.632556  1
  Cr  Cr94  1  0.314569  0.634726  0.665899  1
  Cr  Cr95  1  0.998663  1.002093  0.632556  1
  Cr  Cr96  1  0.155320  0.315968  0.648800  1
  Cr  Cr97  1  0.283582  0.573217  0.715140  1
  Cr  Cr98  1  0.970609  0.947227  0.681660  1
  Cr  Cr99  1  0.129361  0.264935  0.699848  1
  Cr  Cr100  1  0.129361  0.764935  0.699848  1
  Cr  Cr101  1  0.283582  0.073217  0.715140  1
  Cr  Cr102  1  0.970609  0.447227  0.681660  1
  Cr  Cr103  1  0.629361  0.764935  0.699848  1
  Cr  Cr104  1  0.783582  0.073217  0.715140  1
  Cr  Cr105  1  0.470609  0.447227  0.681660  1
  Cr  Cr106  1  0.783582  0.573217  0.715140  1
  Cr  Cr107  1  0.470609  0.947227  0.681660  1
  Cr  Cr108  1  0.629361  0.264935  0.699848  1
