# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26308856
_cell_length_b   12.62969973
_cell_length_c   47.73370607
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.79948348
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr
_chemical_formula_sum   Cr102
_cell_volume   2532.55712457
_cell_formula_units_Z   102
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  0.555612  0.152113  0.273417  1
  Cr  Cr2  1  0.703870  0.474650  0.282130  1
  Cr  Cr3  1  0.869151  0.803447  0.290392  1
  Cr  Cr4  1  0.058231  0.999836  0.269392  1
  Cr  Cr5  1  0.203731  0.310050  0.278017  1
  Cr  Cr6  1  0.366562  0.638916  0.286200  1
  Cr  Cr7  1  0.012834  0.137652  0.304143  1
  Cr  Cr8  1  0.181362  0.464079  0.311758  1
  Cr  Cr9  1  0.344212  0.792044  0.320113  1
  Cr  Cr10  1  0.545846  0.964974  0.297157  1
  Cr  Cr11  1  0.715704  0.300178  0.307890  1
  Cr  Cr12  1  0.877938  0.628684  0.315951  1
  Cr  Cr13  1  0.495910  0.122181  0.329190  1
  Cr  Cr14  1  0.664872  0.454726  0.338431  1
  Cr  Cr15  1  0.829037  0.785323  0.346526  1
  Cr  Cr16  1  0.051333  0.958159  0.324781  1
  Cr  Cr17  1  0.224427  0.290523  0.334438  1
  Cr  Cr18  1  0.385331  0.619190  0.342594  1
  Cr  Cr19  1  0.987837  0.114721  0.355950  1
  Cr  Cr20  1  0.152013  0.445055  0.364536  1
  Cr  Cr21  1  0.318176  0.775326  0.372855  1
  Cr  Cr22  1  0.554474  0.950081  0.351134  1
  Cr  Cr23  1  0.723281  0.278831  0.360173  1
  Cr  Cr24  1  0.887239  0.610450  0.368668  1
  Cr  Cr25  1  0.480447  0.104856  0.382002  1
  Cr  Cr26  1  0.645185  0.434930  0.390683  1
  Cr  Cr27  1  0.810977  0.765211  0.399155  1
  Cr  Cr28  1  0.053167  0.940037  0.377429  1
  Cr  Cr29  1  0.220049  0.270120  0.386572  1
  Cr  Cr30  1  0.384209  0.600261  0.394958  1
  Cr  Cr31  1  0.974629  0.094907  0.408191  1
  Cr  Cr32  1  0.139707  0.425283  0.416894  1
  Cr  Cr33  1  0.305153  0.755278  0.425383  1
  Cr  Cr34  1  0.549463  0.930033  0.403641  1
  Cr  Cr35  1  0.715443  0.259949  0.412586  1
  Cr  Cr36  1  0.879723  0.590256  0.421100  1
  Cr  Cr37  1  0.469360  0.084954  0.434338  1
  Cr  Cr38  1  0.634290  0.415195  0.442993  1
  Cr  Cr39  1  0.799792  0.745238  0.451605  1
  Cr  Cr40  1  0.044814  0.920030  0.429856  1
  Cr  Cr41  1  0.210510  0.250057  0.438746  1
  Cr  Cr42  1  0.375053  0.580379  0.447293  1
  Cr  Cr43  1  0.964295  0.074980  0.460496  1
  Cr  Cr44  1  0.129184  0.405273  0.469151  1
  Cr  Cr45  1  0.294612  0.735287  0.477816  1
  Cr  Cr46  1  0.539938  0.910068  0.456052  1
  Cr  Cr47  1  0.705477  0.240081  0.464860  1
  Cr  Cr48  1  0.870122  0.570331  0.473450  1
  Cr  Cr49  1  0.459288  0.065002  0.486652  1
  Cr  Cr50  1  0.624065  0.395277  0.495276  1
  Cr  Cr51  1  0.789540  0.725293  0.504017  1
  Cr  Cr52  1  0.034920  0.900092  0.482255  1
  Cr  Cr53  1  0.200395  0.230108  0.490996  1
  Cr  Cr54  1  0.365172  0.560384  0.499620  1
  Cr  Cr55  1  0.954338  0.055055  0.512822  1
  Cr  Cr56  1  0.118983  0.385305  0.521412  1
  Cr  Cr57  1  0.284522  0.715317  0.530220  1
  Cr  Cr58  1  0.529848  0.890099  0.508456  1
  Cr  Cr59  1  0.695276  0.220113  0.517121  1
  Cr  Cr60  1  0.860165  0.550406  0.525776  1
  Cr  Cr61  1  0.449407  0.045007  0.538979  1
  Cr  Cr62  1  0.613950  0.375329  0.547526  1
  Cr  Cr63  1  0.779646  0.705355  0.556416  1
  Cr  Cr64  1  0.024668  0.880147  0.534667  1
  Cr  Cr65  1  0.190170  0.210191  0.543279  1
  Cr  Cr66  1  0.355101  0.540432  0.551934  1
  Cr  Cr67  1  0.944737  0.035130  0.565172  1
  Cr  Cr68  1  0.109017  0.365437  0.573686  1
  Cr  Cr69  1  0.274997  0.695353  0.582631  1
  Cr  Cr70  1  0.519307  0.870108  0.560889  1
  Cr  Cr71  1  0.684753  0.200103  0.569378  1
  Cr  Cr72  1  0.849832  0.530478  0.578081  1
  Cr  Cr73  1  0.440251  0.025124  0.591314  1
  Cr  Cr74  1  0.604411  0.355265  0.599700  1
  Cr  Cr75  1  0.771293  0.685348  0.608843  1
  Cr  Cr76  1  0.013483  0.860175  0.587117  1
  Cr  Cr77  1  0.179275  0.190456  0.595589  1
  Cr  Cr78  1  0.344013  0.520529  0.604270  1
  Cr  Cr79  1  0.937222  0.014936  0.617604  1
  Cr  Cr80  1  0.101179  0.346555  0.626099  1
  Cr  Cr81  1  0.269986  0.675305  0.635138  1
  Cr  Cr82  1  0.506284  0.850060  0.613417  1
  Cr  Cr83  1  0.672447  0.180330  0.621736  1
  Cr  Cr84  1  0.836623  0.510665  0.630322  1
  Cr  Cr85  1  0.439129  0.006196  0.643678  1
  Cr  Cr86  1  0.600034  0.334863  0.651834  1
  Cr  Cr87  1  0.773127  0.667226  0.661491  1
  Cr  Cr88  1  0.995423  0.840063  0.639746  1
  Cr  Cr89  1  0.159588  0.170660  0.647841  1
  Cr  Cr90  1  0.328550  0.503204  0.657082  1
  Cr  Cr91  1  0.946522  0.996702  0.670321  1
  Cr  Cr92  1  0.108756  0.325208  0.678382  1
  Cr  Cr93  1  0.278614  0.660412  0.689115  1
  Cr  Cr94  1  0.480248  0.833342  0.666159  1
  Cr  Cr95  1  0.643098  0.161307  0.674514  1
  Cr  Cr96  1  0.811626  0.487733  0.682129  1
  Cr  Cr97  1  0.457898  0.986470  0.700072  1
  Cr  Cr98  1  0.620729  0.315335  0.708255  1
  Cr  Cr99  1  0.766229  0.625549  0.716880  1
  Cr  Cr100  1  0.955309  0.821939  0.695880  1
  Cr  Cr101  1  0.120590  0.150736  0.704142  1
  Cr  Cr102  1  0.268848  0.473273  0.712855  1
