# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17366595
_cell_length_b   20.83464375
_cell_length_c   25.19731366
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr64 N128'
_cell_volume   4815.96412080
_cell_formula_units_Z   64
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  Cr0  1  0.81576300  0.25000000  0.13335300  1
  Cr  Cr1  1  0.68423700  0.25000000  0.36664700  1
  Cr  Cr2  1  0.31576300  0.25000000  0.36664700  1
  Cr  Cr3  1  0.18423700  0.25000000  0.13335300  1
  Cr  Cr4  1  0.81527900  0.25000000  0.99683700  1
  Cr  Cr5  1  0.68472100  0.25000000  0.50316300  1
  Cr  Cr6  1  0.31527900  0.25000000  0.50316300  1
  Cr  Cr7  1  0.18472100  0.25000000  0.99683700  1
  Cr  Cr8  1  0.68557000  0.39864900  0.97381300  1
  Cr  Cr9  1  0.81443000  0.39864900  0.52618700  1
  Cr  Cr10  1  0.18557000  0.39864900  0.52618700  1
  Cr  Cr11  1  0.31443000  0.39864900  0.97381300  1
  Cr  Cr12  1  0.81443000  0.10135100  0.52618700  1
  Cr  Cr13  1  0.68557000  0.10135100  0.97381300  1
  Cr  Cr14  1  0.31443000  0.10135100  0.97381300  1
  Cr  Cr15  1  0.18557000  0.10135100  0.52618700  1
  Cr  Cr16  1  0.31522100  0.97343100  0.58269000  1
  Cr  Cr17  1  0.18477900  0.97343100  0.91731000  1
  Cr  Cr18  1  0.81522100  0.97343100  0.91731000  1
  Cr  Cr19  1  0.68477900  0.97343100  0.58269000  1
  Cr  Cr20  1  0.18477900  0.52656900  0.91731000  1
  Cr  Cr21  1  0.31522100  0.52656900  0.58269000  1
  Cr  Cr22  1  0.68477900  0.52656900  0.58269000  1
  Cr  Cr23  1  0.81522100  0.52656900  0.91731000  1
  Cr  Cr24  1  0.18781200  0.89214600  0.68541500  1
  Cr  Cr25  1  0.31218800  0.89214600  0.81458500  1
  Cr  Cr26  1  0.68781200  0.89214600  0.81458500  1
  Cr  Cr27  1  0.81218800  0.89214600  0.68541500  1
  Cr  Cr28  1  0.31218800  0.60785400  0.81458500  1
  Cr  Cr29  1  0.18781200  0.60785400  0.68541500  1
  Cr  Cr30  1  0.81218800  0.60785400  0.68541500  1
  Cr  Cr31  1  0.68781200  0.60785400  0.81458500  1
  Cr  Cr32  1  0.31576300  0.75000000  0.63335300  1
  Cr  Cr33  1  0.18423700  0.75000000  0.86664700  1
  Cr  Cr34  1  0.81576300  0.75000000  0.86664700  1
  Cr  Cr35  1  0.68423700  0.75000000  0.63335300  1
  Cr  Cr36  1  0.31527900  0.75000000  0.49683700  1
  Cr  Cr37  1  0.18472100  0.75000000  0.00316300  1
  Cr  Cr38  1  0.81527900  0.75000000  0.00316300  1
  Cr  Cr39  1  0.68472100  0.75000000  0.49683700  1
  Cr  Cr40  1  0.18557000  0.89864900  0.47381300  1
  Cr  Cr41  1  0.31443000  0.89864900  0.02618700  1
  Cr  Cr42  1  0.68557000  0.89864900  0.02618700  1
  Cr  Cr43  1  0.81443000  0.89864900  0.47381300  1
  Cr  Cr44  1  0.31443000  0.60135100  0.02618700  1
  Cr  Cr45  1  0.18557000  0.60135100  0.47381300  1
  Cr  Cr46  1  0.81443000  0.60135100  0.47381300  1
  Cr  Cr47  1  0.68557000  0.60135100  0.02618700  1
  Cr  Cr48  1  0.81522100  0.47343100  0.08269000  1
  Cr  Cr49  1  0.68477900  0.47343100  0.41731000  1
  Cr  Cr50  1  0.31522100  0.47343100  0.41731000  1
  Cr  Cr51  1  0.18477900  0.47343100  0.08269000  1
  Cr  Cr52  1  0.68477900  0.02656900  0.41731000  1
  Cr  Cr53  1  0.81522100  0.02656900  0.08269000  1
  Cr  Cr54  1  0.18477900  0.02656900  0.08269000  1
  Cr  Cr55  1  0.31522100  0.02656900  0.41731000  1
  Cr  Cr56  1  0.68781200  0.39214600  0.18541500  1
  Cr  Cr57  1  0.81218800  0.39214600  0.31458500  1
  Cr  Cr58  1  0.18781200  0.39214600  0.31458500  1
  Cr  Cr59  1  0.31218800  0.39214600  0.18541500  1
  Cr  Cr60  1  0.81218800  0.10785400  0.31458500  1
  Cr  Cr61  1  0.68781200  0.10785400  0.18541500  1
  Cr  Cr62  1  0.31218800  0.10785400  0.18541500  1
  Cr  Cr63  1  0.18781200  0.10785400  0.31458500  1
  N  N64  1  0.00000000  0.25000000  0.14785500  1
  N  N65  1  0.50000000  0.25000000  0.35214500  1
  N  N66  1  0.79581900  0.25000000  0.06507000  1
  N  N67  1  0.70418100  0.25000000  0.43493000  1
  N  N68  1  0.29581900  0.25000000  0.43493000  1
  N  N69  1  0.20418100  0.25000000  0.06507000  1
  N  N70  1  0.73574800  0.31787400  0.16074800  1
  N  N71  1  0.76425200  0.31787400  0.33925200  1
  N  N72  1  0.23574800  0.31787400  0.33925200  1
  N  N73  1  0.26425200  0.31787400  0.16074800  1
  N  N74  1  0.76425200  0.18212600  0.33925200  1
  N  N75  1  0.73574800  0.18212600  0.16074800  1
  N  N76  1  0.26425200  0.18212600  0.16074800  1
  N  N77  1  0.23574800  0.18212600  0.33925200  1
  N  N78  1  0.00000000  0.25000000  0.98289900  1
  N  N79  1  0.50000000  0.25000000  0.51710100  1
  N  N80  1  0.73702500  0.31879500  0.97112800  1
  N  N81  1  0.76297500  0.31879500  0.52887200  1
  N  N82  1  0.23702500  0.31879500  0.52887200  1
  N  N83  1  0.26297500  0.31879500  0.97112800  1
  N  N84  1  0.76297500  0.18120500  0.52887200  1
  N  N85  1  0.73702500  0.18120500  0.97112800  1
  N  N86  1  0.26297500  0.18120500  0.97112800  1
  N  N87  1  0.23702500  0.18120500  0.52887200  1
  N  N88  1  0.50000000  0.40408200  0.96213300  1
  N  N89  1  0.00000000  0.40408200  0.53786700  1
  N  N90  1  0.00000000  0.09591800  0.53786700  1
  N  N91  1  0.50000000  0.09591800  0.96213300  1
  N  N92  1  0.72045600  0.42759400  0.03627700  1
  N  N93  1  0.77954400  0.42759400  0.46372300  1
  N  N94  1  0.22045600  0.42759400  0.46372300  1
  N  N95  1  0.27954400  0.42759400  0.03627700  1
  N  N96  1  0.77954400  0.07240600  0.46372300  1
  N  N97  1  0.72045600  0.07240600  0.03627700  1
  N  N98  1  0.27954400  0.07240600  0.03627700  1
  N  N99  1  0.22045600  0.07240600  0.46372300  1
  N  N100  1  0.77900600  0.44630100  0.92879800  1
  N  N101  1  0.72099400  0.44630100  0.57120200  1
  N  N102  1  0.27900600  0.44630100  0.57120200  1
  N  N103  1  0.22099400  0.44630100  0.92879800  1
  N  N104  1  0.72099400  0.05369900  0.57120200  1
  N  N105  1  0.77900600  0.05369900  0.92879800  1
  N  N106  1  0.22099400  0.05369900  0.92879800  1
  N  N107  1  0.27900600  0.05369900  0.57120200  1
  N  N108  1  0.50000000  0.96103700  0.57503200  1
  N  N109  1  0.00000000  0.96103700  0.92496800  1
  N  N110  1  0.00000000  0.53896300  0.92496800  1
  N  N111  1  0.50000000  0.53896300  0.57503200  1
  N  N112  1  0.26399600  0.95133300  0.64595100  1
  N  N113  1  0.23600400  0.95133300  0.85404900  1
  N  N114  1  0.76399600  0.95133300  0.85404900  1
  N  N115  1  0.73600400  0.95133300  0.64595100  1
  N  N116  1  0.23600400  0.54866700  0.85404900  1
  N  N117  1  0.26399600  0.54866700  0.64595100  1
  N  N118  1  0.73600400  0.54866700  0.64595100  1
  N  N119  1  0.76399600  0.54866700  0.85404900  1
  N  N120  1  0.25000000  0.89824500  0.75000000  1
  N  N121  1  0.75000000  0.89824500  0.75000000  1
  N  N122  1  0.25000000  0.60175500  0.75000000  1
  N  N123  1  0.75000000  0.60175500  0.75000000  1
  N  N124  1  0.00000000  0.89837500  0.68528000  1
  N  N125  1  0.50000000  0.89837500  0.81472000  1
  N  N126  1  0.50000000  0.60162500  0.81472000  1
  N  N127  1  0.00000000  0.60162500  0.68528000  1
  N  N128  1  0.50000000  0.75000000  0.64785500  1
  N  N129  1  0.00000000  0.75000000  0.85214500  1
  N  N130  1  0.29581900  0.75000000  0.56507000  1
  N  N131  1  0.20418100  0.75000000  0.93493000  1
  N  N132  1  0.79581900  0.75000000  0.93493000  1
  N  N133  1  0.70418100  0.75000000  0.56507000  1
  N  N134  1  0.23574800  0.81787400  0.66074800  1
  N  N135  1  0.26425200  0.81787400  0.83925200  1
  N  N136  1  0.73574800  0.81787400  0.83925200  1
  N  N137  1  0.76425200  0.81787400  0.66074800  1
  N  N138  1  0.26425200  0.68212600  0.83925200  1
  N  N139  1  0.23574800  0.68212600  0.66074800  1
  N  N140  1  0.76425200  0.68212600  0.66074800  1
  N  N141  1  0.73574800  0.68212600  0.83925200  1
  N  N142  1  0.50000000  0.75000000  0.48289900  1
  N  N143  1  0.00000000  0.75000000  0.01710100  1
  N  N144  1  0.23702500  0.81879500  0.47112800  1
  N  N145  1  0.26297500  0.81879500  0.02887200  1
  N  N146  1  0.73702500  0.81879500  0.02887200  1
  N  N147  1  0.76297500  0.81879500  0.47112800  1
  N  N148  1  0.26297500  0.68120500  0.02887200  1
  N  N149  1  0.23702500  0.68120500  0.47112800  1
  N  N150  1  0.76297500  0.68120500  0.47112800  1
  N  N151  1  0.73702500  0.68120500  0.02887200  1
  N  N152  1  0.00000000  0.90408200  0.46213300  1
  N  N153  1  0.50000000  0.90408200  0.03786700  1
  N  N154  1  0.50000000  0.59591800  0.03786700  1
  N  N155  1  0.00000000  0.59591800  0.46213300  1
  N  N156  1  0.22045600  0.92759400  0.53627700  1
  N  N157  1  0.27954400  0.92759400  0.96372300  1
  N  N158  1  0.72045600  0.92759400  0.96372300  1
  N  N159  1  0.77954400  0.92759400  0.53627700  1
  N  N160  1  0.27954400  0.57240600  0.96372300  1
  N  N161  1  0.22045600  0.57240600  0.53627700  1
  N  N162  1  0.77954400  0.57240600  0.53627700  1
  N  N163  1  0.72045600  0.57240600  0.96372300  1
  N  N164  1  0.27900600  0.94630100  0.42879800  1
  N  N165  1  0.22099400  0.94630100  0.07120200  1
  N  N166  1  0.77900600  0.94630100  0.07120200  1
  N  N167  1  0.72099400  0.94630100  0.42879800  1
  N  N168  1  0.22099400  0.55369900  0.07120200  1
  N  N169  1  0.27900600  0.55369900  0.42879800  1
  N  N170  1  0.72099400  0.55369900  0.42879800  1
  N  N171  1  0.77900600  0.55369900  0.07120200  1
  N  N172  1  0.00000000  0.46103700  0.07503200  1
  N  N173  1  0.50000000  0.46103700  0.42496800  1
  N  N174  1  0.50000000  0.03896300  0.42496800  1
  N  N175  1  0.00000000  0.03896300  0.07503200  1
  N  N176  1  0.76399600  0.45133300  0.14595100  1
  N  N177  1  0.73600400  0.45133300  0.35404900  1
  N  N178  1  0.26399600  0.45133300  0.35404900  1
  N  N179  1  0.23600400  0.45133300  0.14595100  1
  N  N180  1  0.73600400  0.04866700  0.35404900  1
  N  N181  1  0.76399600  0.04866700  0.14595100  1
  N  N182  1  0.23600400  0.04866700  0.14595100  1
  N  N183  1  0.26399600  0.04866700  0.35404900  1
  N  N184  1  0.75000000  0.39824500  0.25000000  1
  N  N185  1  0.25000000  0.39824500  0.25000000  1
  N  N186  1  0.75000000  0.10175500  0.25000000  1
  N  N187  1  0.25000000  0.10175500  0.25000000  1
  N  N188  1  0.50000000  0.39837500  0.18528000  1
  N  N189  1  0.00000000  0.39837500  0.31472000  1
  N  N190  1  0.00000000  0.10162500  0.31472000  1
  N  N191  1  0.50000000  0.10162500  0.18528000  1
