# generated using pymatgen
data_Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99965259
_cell_length_b   8.00492496
_cell_length_c   46.84364325
_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   2939.10210142
_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  0.648200  0.647546  0.319902  1
  Cr  Cr2  1  0.148200  0.147546  0.319902  1
  Cr  Cr3  1  0.235719  0.734594  0.289237  1
  Cr  Cr4  1  0.735719  0.234594  0.289237  1
  Cr  Cr5  1  0.985719  0.984594  0.289237  1
  Cr  Cr6  1  0.485719  0.484594  0.289237  1
  Cr  Cr7  1  0.398200  0.897546  0.319902  1
  Cr  Cr8  1  0.898200  0.397546  0.319902  1
  Cr  Cr9  1  0.690952  0.940080  0.304084  1
  Cr  Cr10  1  0.190952  0.440080  0.304084  1
  Cr  Cr11  1  0.105689  0.854920  0.336034  1
  Cr  Cr12  1  0.605689  0.354920  0.336034  1
  Cr  Cr13  1  0.940952  0.690080  0.304084  1
  Cr  Cr14  1  0.440952  0.190080  0.304084  1
  Cr  Cr15  1  0.355689  0.604920  0.336034  1
  Cr  Cr16  1  0.855689  0.104920  0.336034  1
  Cr  Cr17  1  0.481237  0.480647  0.382718  1
  Cr  Cr18  1  0.981237  0.980647  0.382718  1
  Cr  Cr19  1  0.064814  0.564128  0.351200  1
  Cr  Cr20  1  0.564814  0.064128  0.351200  1
  Cr  Cr21  1  0.814814  0.814128  0.351200  1
  Cr  Cr22  1  0.314814  0.314128  0.351200  1
  Cr  Cr23  1  0.231237  0.730647  0.382718  1
  Cr  Cr24  1  0.731237  0.230647  0.382718  1
  Cr  Cr25  1  0.522858  0.772277  0.366651  1
  Cr  Cr26  1  0.022858  0.272277  0.366651  1
  Cr  Cr27  1  0.939295  0.688763  0.398091  1
  Cr  Cr28  1  0.439295  0.188763  0.398091  1
  Cr  Cr29  1  0.772858  0.522277  0.366651  1
  Cr  Cr30  1  0.272858  0.022277  0.366651  1
  Cr  Cr31  1  0.189295  0.438763  0.398091  1
  Cr  Cr32  1  0.689295  0.938763  0.398091  1
  Cr  Cr33  1  0.313870  0.313490  0.445043  1
  Cr  Cr34  1  0.813870  0.813490  0.445043  1
  Cr  Cr35  1  0.897565  0.397106  0.413700  1
  Cr  Cr36  1  0.397565  0.897106  0.413700  1
  Cr  Cr37  1  0.647565  0.647106  0.413700  1
  Cr  Cr38  1  0.147565  0.147106  0.413700  1
  Cr  Cr39  1  0.063870  0.563490  0.445043  1
  Cr  Cr40  1  0.563870  0.063490  0.445043  1
  Cr  Cr41  1  0.355711  0.605280  0.429522  1
  Cr  Cr42  1  0.855711  0.105280  0.429522  1
  Cr  Cr43  1  0.772074  0.521752  0.460679  1
  Cr  Cr44  1  0.272074  0.021752  0.460679  1
  Cr  Cr45  1  0.605711  0.355280  0.429522  1
  Cr  Cr46  1  0.105711  0.855280  0.429522  1
  Cr  Cr47  1  0.022074  0.271752  0.460679  1
  Cr  Cr48  1  0.522074  0.771752  0.460679  1
  Cr  Cr49  1  0.146597  0.146419  0.507635  1
  Cr  Cr50  1  0.646597  0.646419  0.507635  1
  Cr  Cr51  1  0.730237  0.229957  0.476379  1
  Cr  Cr52  1  0.230237  0.729957  0.476379  1
  Cr  Cr53  1  0.480237  0.479957  0.476379  1
  Cr  Cr54  1  0.980237  0.979957  0.476379  1
  Cr  Cr55  1  0.896597  0.396419  0.507635  1
  Cr  Cr56  1  0.396597  0.896419  0.507635  1
  Cr  Cr57  1  0.188395  0.438162  0.491991  1
  Cr  Cr58  1  0.688395  0.938162  0.491991  1
  Cr  Cr59  1  0.604755  0.354624  0.523248  1
  Cr  Cr60  1  0.104755  0.854624  0.523248  1
  Cr  Cr61  1  0.438395  0.188162  0.491991  1
  Cr  Cr62  1  0.938395  0.688162  0.491991  1
  Cr  Cr63  1  0.854755  0.104624  0.523248  1
  Cr  Cr64  1  0.354755  0.604624  0.523248  1
  Cr  Cr65  1  0.979281  0.979301  0.570104  1
  Cr  Cr66  1  0.479281  0.479301  0.570104  1
  Cr  Cr67  1  0.562918  0.062829  0.538948  1
  Cr  Cr68  1  0.062918  0.562829  0.538948  1
  Cr  Cr69  1  0.312918  0.312829  0.538948  1
  Cr  Cr70  1  0.812918  0.812829  0.538948  1
  Cr  Cr71  1  0.729281  0.229301  0.570104  1
  Cr  Cr72  1  0.229281  0.729301  0.570104  1
  Cr  Cr73  1  0.021122  0.271092  0.554583  1
  Cr  Cr74  1  0.521122  0.771092  0.554583  1
  Cr  Cr75  1  0.437427  0.187475  0.585927  1
  Cr  Cr76  1  0.937427  0.687475  0.585927  1
  Cr  Cr77  1  0.271122  0.021092  0.554583  1
  Cr  Cr78  1  0.771122  0.521092  0.554583  1
  Cr  Cr79  1  0.687427  0.937475  0.585927  1
  Cr  Cr80  1  0.187427  0.437475  0.585927  1
  Cr  Cr81  1  0.812133  0.812305  0.632975  1
  Cr  Cr82  1  0.312133  0.312305  0.632975  1
  Cr  Cr83  1  0.395696  0.895819  0.601536  1
  Cr  Cr84  1  0.895696  0.395819  0.601536  1
  Cr  Cr85  1  0.145696  0.145819  0.601536  1
  Cr  Cr86  1  0.645696  0.645819  0.601536  1
  Cr  Cr87  1  0.562133  0.062305  0.632975  1
  Cr  Cr88  1  0.062133  0.562305  0.632975  1
  Cr  Cr89  1  0.853755  0.103935  0.616908  1
  Cr  Cr90  1  0.353755  0.603935  0.616908  1
  Cr  Cr91  1  0.270178  0.020454  0.648427  1
  Cr  Cr92  1  0.770178  0.520454  0.648427  1
  Cr  Cr93  1  0.103755  0.853935  0.616908  1
  Cr  Cr94  1  0.603755  0.353935  0.616908  1
  Cr  Cr95  1  0.520178  0.770454  0.648427  1
  Cr  Cr96  1  0.020178  0.270454  0.648427  1
  Cr  Cr97  1  0.644040  0.644501  0.695543  1
  Cr  Cr98  1  0.144040  0.144501  0.695543  1
  Cr  Cr99  1  0.229302  0.729662  0.663592  1
  Cr  Cr100  1  0.729302  0.229662  0.663592  1
  Cr  Cr101  1  0.979302  0.979662  0.663592  1
  Cr  Cr102  1  0.479302  0.479662  0.663592  1
  Cr  Cr103  1  0.394040  0.894501  0.695543  1
  Cr  Cr104  1  0.894040  0.394501  0.695543  1
  Cr  Cr105  1  0.686791  0.937036  0.679724  1
  Cr  Cr106  1  0.186791  0.437036  0.679724  1
  Cr  Cr107  1  0.099273  0.849988  0.710390  1
  Cr  Cr108  1  0.599273  0.349988  0.710390  1
  Cr  Cr109  1  0.936791  0.687036  0.679724  1
  Cr  Cr110  1  0.436791  0.187036  0.679724  1
  Cr  Cr111  1  0.349273  0.599988  0.710390  1
  Cr  Cr112  1  0.849273  0.099988  0.710390  1
