# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47924785
_cell_length_b   10.25541149
_cell_length_c   49.14434269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr
_chemical_formula_sum   Cr112
_cell_volume   3097.93619965
_cell_formula_units_Z   112
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  0.132444  0.740378  0.291868  1
  Cr  Cr2  1  0.356296  0.173238  0.326206  1
  Cr  Cr3  1  0.491609  0.273797  0.278587  1
  Cr  Cr4  1  0.743309  0.943396  0.308675  1
  Cr  Cr5  1  0.904744  0.477637  0.292635  1
  Cr  Cr6  1  0.116976  0.923598  0.325797  1
  Cr  Cr7  1  0.605587  0.425320  0.324125  1
  Cr  Cr8  1  0.412701  0.993704  0.292791  1
  Cr  Cr9  1  0.402914  0.782424  0.333654  1
  Cr  Cr10  1  0.170913  0.327114  0.303184  1
  Cr  Cr11  1  0.291790  0.557106  0.318193  1
  Cr  Cr12  1  0.079300  0.090716  0.286909  1
  Cr  Cr13  1  0.712655  0.692734  0.307279  1
  Cr  Cr14  1  0.959970  0.142788  0.340649  1
  Cr  Cr15  1  0.959521  0.647820  0.339496  1
  Cr  Cr16  1  0.740666  0.205333  0.308614  1
  Cr  Cr17  1  0.575263  0.617309  0.356236  1
  Cr  Cr18  1  0.797315  0.061853  0.387615  1
  Cr  Cr19  1  0.958383  0.394146  0.341358  1
  Cr  Cr20  1  0.184443  0.839774  0.372102  1
  Cr  Cr21  1  0.325686  0.367414  0.356250  1
  Cr  Cr22  1  0.546802  0.811893  0.387408  1
  Cr  Cr23  1  0.047021  0.312052  0.387570  1
  Cr  Cr24  1  0.824955  0.867238  0.355952  1
  Cr  Cr25  1  0.851298  0.673489  0.395117  1
  Cr  Cr26  1  0.630889  0.228572  0.364257  1
  Cr  Cr27  1  0.739820  0.451444  0.379510  1
  Cr  Cr28  1  0.524160  0.006521  0.348428  1
  Cr  Cr29  1  0.182021  0.590053  0.371588  1
  Cr  Cr30  1  0.408187  0.034313  0.403173  1
  Cr  Cr31  1  0.406476  0.534647  0.402935  1
  Cr  Cr32  1  0.185312  0.089803  0.372088  1
  Cr  Cr33  1  0.017753  0.506835  0.418518  1
  Cr  Cr34  1  0.241023  0.950970  0.449966  1
  Cr  Cr35  1  0.407980  0.284498  0.403040  1
  Cr  Cr36  1  0.629526  0.728744  0.434265  1
  Cr  Cr37  1  0.768805  0.256649  0.418748  1
  Cr  Cr38  1  0.990767  0.700905  0.449919  1
  Cr  Cr39  1  0.490643  0.201313  0.449923  1
  Cr  Cr40  1  0.268555  0.756658  0.418670  1
  Cr  Cr41  1  0.295781  0.562330  0.457681  1
  Cr  Cr42  1  0.074442  0.117677  0.426593  1
  Cr  Cr43  1  0.185236  0.340149  0.442081  1
  Cr  Cr44  1  0.963026  0.895299  0.410994  1
  Cr  Cr45  1  0.628975  0.478937  0.434256  1
  Cr  Cr46  1  0.851776  0.923130  0.465615  1
  Cr  Cr47  1  0.852009  0.423632  0.465462  1
  Cr  Cr48  1  0.630168  0.978823  0.434360  1
  Cr  Cr49  1  0.462853  0.395761  0.481119  1
  Cr  Cr50  1  0.685350  0.840014  0.512449  1
  Cr  Cr51  1  0.851858  0.173367  0.465563  1
  Cr  Cr52  1  0.074168  0.617905  0.496775  1
  Cr  Cr53  1  0.213108  0.145507  0.481198  1
  Cr  Cr54  1  0.435478  0.590019  0.512423  1
  Cr  Cr55  1  0.934969  0.090248  0.512395  1
  Cr  Cr56  1  0.712844  0.645784  0.481131  1
  Cr  Cr57  1  0.740461  0.451340  0.520180  1
  Cr  Cr58  1  0.518438  0.006677  0.489015  1
  Cr  Cr59  1  0.629691  0.229057  0.504573  1
  Cr  Cr60  1  0.407807  0.784439  0.473376  1
  Cr  Cr61  1  0.073620  0.367857  0.496773  1
  Cr  Cr62  1  0.296228  0.812156  0.528107  1
  Cr  Cr63  1  0.296425  0.312622  0.527950  1
  Cr  Cr64  1  0.074550  0.867910  0.496801  1
  Cr  Cr65  1  0.907129  0.284771  0.543630  1
  Cr  Cr66  1  0.130563  0.728970  0.575025  1
  Cr  Cr67  1  0.296208  0.062356  0.528026  1
  Cr  Cr68  1  0.518933  0.507126  0.559290  1
  Cr  Cr69  1  0.657422  0.034355  0.543680  1
  Cr  Cr70  1  0.879577  0.479241  0.574830  1
  Cr  Cr71  1  0.379161  0.979218  0.574861  1
  Cr  Cr72  1  0.157575  0.534859  0.543627  1
  Cr  Cr73  1  0.185672  0.340528  0.582521  1
  Cr  Cr74  1  0.962886  0.895602  0.551510  1
  Cr  Cr75  1  0.073533  0.117977  0.567020  1
  Cr  Cr76  1  0.852541  0.673494  0.535861  1
  Cr  Cr77  1  0.517887  0.256919  0.559220  1
  Cr  Cr78  1  0.742333  0.701267  0.590584  1
  Cr  Cr79  1  0.739403  0.201064  0.590394  1
  Cr  Cr80  1  0.519283  0.756907  0.559322  1
  Cr  Cr81  1  0.350436  0.174124  0.606027  1
  Cr  Cr82  1  0.576608  0.619322  0.637037  1
  Cr  Cr83  1  0.739840  0.950851  0.590619  1
  Cr  Cr84  1  0.963048  0.395808  0.621137  1
  Cr  Cr85  1  0.101323  0.923444  0.606118  1
  Cr  Cr86  1  0.325652  0.370236  0.637788  1
  Cr  Cr87  1  0.823409  0.868366  0.637514  1
  Cr  Cr88  1  0.601772  0.423620  0.606143  1
  Cr  Cr89  1  0.620948  0.229472  0.645335  1
  Cr  Cr90  1  0.408201  0.784487  0.614108  1
  Cr  Cr91  1  0.516554  0.007317  0.629405  1
  Cr  Cr92  1  0.297319  0.562512  0.598364  1
  Cr  Cr93  1  0.962340  0.145067  0.621391  1
  Cr  Cr94  1  0.187422  0.587037  0.653661  1
  Cr  Cr95  1  0.187217  0.092746  0.653082  1
  Cr  Cr96  1  0.966389  0.646016  0.621999  1
  Cr  Cr97  1  0.788695  0.060499  0.667488  1
  Cr  Cr98  1  0.058461  0.480161  0.701397  1
  Cr  Cr99  1  0.190630  0.841577  0.652585  1
  Cr  Cr100  1  0.398316  0.296700  0.685151  1
  Cr  Cr101  1  0.543611  0.810406  0.669651  1
  Cr  Cr102  1  0.731967  0.243472  0.700409  1
  Cr  Cr103  1  0.242243  0.752286  0.701108  1
  Cr  Cr104  1  0.025700  0.306275  0.666470  1
  Cr  Cr105  1  0.065449  0.150181  0.706667  1
  Cr  Cr106  1  0.861677  0.676952  0.675933  1
  Cr  Cr107  1  0.977444  0.908461  0.690887  1
  Cr  Cr108  1  0.749989  0.452449  0.660657  1
  Cr  Cr109  1  0.405600  0.031671  0.685425  1
  Cr  Cr110  1  0.689682  0.484918  0.714915  1
  Cr  Cr111  1  0.655706  0.962236  0.715157  1
  Cr  Cr112  1  0.442439  0.548542  0.684239  1
