# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89622643
_cell_length_b   7.89233676
_cell_length_c   46.31525549
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr
_chemical_formula_sum   Cr112
_cell_volume   2828.03566405
_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  0.977125  0.730663  0.290703  1
  Cr  Cr2  1  0.481467  0.232495  0.289928  1
  Cr  Cr3  1  0.387744  0.636664  0.323515  1
  Cr  Cr4  1  0.888592  0.138231  0.322323  1
  Cr  Cr5  1  0.731528  0.982420  0.289928  1
  Cr  Cr6  1  0.229680  0.478027  0.290704  1
  Cr  Cr7  1  0.135945  0.888474  0.323525  1
  Cr  Cr8  1  0.637515  0.389318  0.322323  1
  Cr  Cr9  1  0.841379  0.844384  0.338584  1
  Cr  Cr10  1  0.343643  0.342122  0.338584  1
  Cr  Cr11  1  0.437118  0.937939  0.308586  1
  Cr  Cr12  1  0.931637  0.432470  0.305937  1
  Cr  Cr13  1  0.672421  0.682941  0.304839  1
  Cr  Cr14  1  0.182115  0.173220  0.304838  1
  Cr  Cr15  1  0.280882  0.781845  0.275715  1
  Cr  Cr16  1  0.596695  0.097433  0.339515  1
  Cr  Cr17  1  0.802744  0.554017  0.353601  1
  Cr  Cr18  1  0.301884  0.054252  0.354562  1
  Cr  Cr19  1  0.219604  0.469805  0.385204  1
  Cr  Cr20  1  0.719563  0.970095  0.385679  1
  Cr  Cr21  1  0.553549  0.802579  0.354558  1
  Cr  Cr22  1  0.053322  0.303440  0.353600  1
  Cr  Cr23  1  0.969182  0.720233  0.385204  1
  Cr  Cr24  1  0.469467  0.220195  0.385681  1
  Cr  Cr25  1  0.678239  0.677521  0.400890  1
  Cr  Cr26  1  0.176926  0.178835  0.400892  1
  Cr  Cr27  1  0.261693  0.762335  0.369938  1
  Cr  Cr28  1  0.762129  0.262786  0.369759  1
  Cr  Cr29  1  0.511700  0.509872  0.369879  1
  Cr  Cr30  1  0.009213  0.012359  0.369882  1
  Cr  Cr31  1  0.095163  0.595901  0.338771  1
  Cr  Cr32  1  0.428006  0.928595  0.401183  1
  Cr  Cr33  1  0.636395  0.386364  0.416665  1
  Cr  Cr34  1  0.135805  0.886873  0.416545  1
  Cr  Cr35  1  0.052370  0.303274  0.447676  1
  Cr  Cr36  1  0.552850  0.802846  0.447775  1
  Cr  Cr37  1  0.386316  0.636358  0.416545  1
  Cr  Cr38  1  0.885803  0.136953  0.416666  1
  Cr  Cr39  1  0.802784  0.552861  0.447676  1
  Cr  Cr40  1  0.302360  0.053337  0.447775  1
  Cr  Cr41  1  0.510953  0.511196  0.463359  1
  Cr  Cr42  1  0.010742  0.011407  0.463358  1
  Cr  Cr43  1  0.094268  0.594791  0.432000  1
  Cr  Cr44  1  0.594398  0.094920  0.432380  1
  Cr  Cr45  1  0.344121  0.344948  0.432155  1
  Cr  Cr46  1  0.844424  0.844645  0.432154  1
  Cr  Cr47  1  0.927904  0.428497  0.400671  1
  Cr  Cr48  1  0.260865  0.761318  0.463288  1
  Cr  Cr49  1  0.469092  0.219625  0.479005  1
  Cr  Cr50  1  0.969126  0.719475  0.478849  1
  Cr  Cr51  1  0.885572  0.136170  0.510177  1
  Cr  Cr52  1  0.385756  0.635904  0.510078  1
  Cr  Cr53  1  0.219055  0.469546  0.478849  1
  Cr  Cr54  1  0.719207  0.969510  0.479004  1
  Cr  Cr55  1  0.635821  0.385921  0.510177  1
  Cr  Cr56  1  0.135553  0.886106  0.510078  1
  Cr  Cr57  1  0.343971  0.344170  0.525678  1
  Cr  Cr58  1  0.843855  0.844285  0.525678  1
  Cr  Cr59  1  0.927402  0.427787  0.494480  1
  Cr  Cr60  1  0.427432  0.927815  0.494552  1
  Cr  Cr61  1  0.177234  0.177898  0.494515  1
  Cr  Cr62  1  0.677513  0.677618  0.494515  1
  Cr  Cr63  1  0.760914  0.261369  0.463445  1
  Cr  Cr64  1  0.093909  0.594224  0.525555  1
  Cr  Cr65  1  0.302031  0.052670  0.541325  1
  Cr  Cr66  1  0.802381  0.552260  0.541279  1
  Cr  Cr67  1  0.718823  0.968908  0.572593  1
  Cr  Cr68  1  0.218702  0.468916  0.572262  1
  Cr  Cr69  1  0.051981  0.302662  0.541279  1
  Cr  Cr70  1  0.552389  0.802313  0.541325  1
  Cr  Cr71  1  0.468695  0.219034  0.572593  1
  Cr  Cr72  1  0.968705  0.718911  0.572261  1
  Cr  Cr73  1  0.175971  0.177859  0.588096  1
  Cr  Cr74  1  0.677680  0.676150  0.588095  1
  Cr  Cr75  1  0.760586  0.260830  0.557072  1
  Cr  Cr76  1  0.260449  0.760695  0.556762  1
  Cr  Cr77  1  0.010099  0.011081  0.556879  1
  Cr  Cr78  1  0.510835  0.510345  0.556879  1
  Cr  Cr79  1  0.593995  0.094309  0.525821  1
  Cr  Cr80  1  0.927160  0.427337  0.588214  1
  Cr  Cr81  1  0.134985  0.885597  0.603401  1
  Cr  Cr82  1  0.635891  0.385152  0.603933  1
  Cr  Cr83  1  0.552617  0.801883  0.634511  1
  Cr  Cr84  1  0.050192  0.303203  0.635404  1
  Cr  Cr85  1  0.885012  0.136033  0.603934  1
  Cr  Cr86  1  0.385460  0.635127  0.603401  1
  Cr  Cr87  1  0.301806  0.052692  0.634509  1
  Cr  Cr88  1  0.803113  0.550272  0.635402  1
  Cr  Cr89  1  0.009401  0.008249  0.650094  1
  Cr  Cr90  1  0.508215  0.509438  0.650095  1
  Cr  Cr91  1  0.594469  0.094575  0.619424  1
  Cr  Cr92  1  0.094046  0.594149  0.618811  1
  Cr  Cr93  1  0.843691  0.842292  0.619161  1
  Cr  Cr94  1  0.342182  0.343806  0.619163  1
  Cr  Cr95  1  0.427151  0.927325  0.588027  1
  Cr  Cr96  1  0.762454  0.262479  0.651393  1
  Cr  Cr97  1  0.969601  0.716982  0.665724  1
  Cr  Cr98  1  0.468405  0.218776  0.665810  1
  Cr  Cr99  1  0.376642  0.629723  0.698505  1
  Cr  Cr100  1  0.879832  0.128497  0.698603  1
  Cr  Cr101  1  0.718775  0.968412  0.665809  1
  Cr  Cr102  1  0.216977  0.469622  0.665732  1
  Cr  Cr103  1  0.129829  0.876480  0.698504  1
  Cr  Cr104  1  0.628615  0.379714  0.698603  1
  Cr  Cr105  1  0.838942  0.815484  0.714179  1
  Cr  Cr106  1  0.315706  0.338701  0.714176  1
  Cr  Cr107  1  0.424278  0.924294  0.681630  1
  Cr  Cr108  1  0.932591  0.432567  0.685867  1
  Cr  Cr109  1  0.668504  0.674547  0.681378  1
  Cr  Cr110  1  0.174536  0.168478  0.681373  1
  Cr  Cr111  1  0.261257  0.761290  0.649867  1
  Cr  Cr112  1  0.579551  0.079314  0.714424  1
