# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68877059
_cell_length_b   15.04612831
_cell_length_c   28.19995228
_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   'Cr32 N64'
_cell_volume   2413.74593215
_cell_formula_units_Z   32
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  0.00000000  0.86098500  0.21677500  1
  Cr  Cr1  1  0.00000000  0.36098500  0.78322500  1
  Cr  Cr2  1  0.00000000  0.13901500  0.78322500  1
  Cr  Cr3  1  0.00000000  0.63901500  0.21677500  1
  Cr  Cr4  1  0.50000000  0.75000000  0.97433400  1
  Cr  Cr5  1  0.50000000  0.25000000  0.02566600  1
  Cr  Cr6  1  0.50000000  0.03907100  0.05782800  1
  Cr  Cr7  1  0.50000000  0.53907100  0.94217200  1
  Cr  Cr8  1  0.50000000  0.96092900  0.94217200  1
  Cr  Cr9  1  0.50000000  0.46092900  0.05782800  1
  Cr  Cr10  1  0.00000000  0.75000000  0.04349100  1
  Cr  Cr11  1  0.00000000  0.25000000  0.95650900  1
  Cr  Cr12  1  0.00000000  0.94626200  0.10502400  1
  Cr  Cr13  1  0.00000000  0.44626200  0.89497600  1
  Cr  Cr14  1  0.00000000  0.05373800  0.89497600  1
  Cr  Cr15  1  0.00000000  0.55373800  0.10502400  1
  Cr  Cr16  1  0.50000000  0.36098500  0.71677500  1
  Cr  Cr17  1  0.50000000  0.86098500  0.28322500  1
  Cr  Cr18  1  0.50000000  0.63901500  0.28322500  1
  Cr  Cr19  1  0.50000000  0.13901500  0.71677500  1
  Cr  Cr20  1  0.00000000  0.25000000  0.47433400  1
  Cr  Cr21  1  0.00000000  0.75000000  0.52566600  1
  Cr  Cr22  1  0.00000000  0.53907100  0.55782800  1
  Cr  Cr23  1  0.00000000  0.03907100  0.44217200  1
  Cr  Cr24  1  0.00000000  0.46092900  0.44217200  1
  Cr  Cr25  1  0.00000000  0.96092900  0.55782800  1
  Cr  Cr26  1  0.50000000  0.25000000  0.54349100  1
  Cr  Cr27  1  0.50000000  0.75000000  0.45650900  1
  Cr  Cr28  1  0.50000000  0.44626200  0.60502400  1
  Cr  Cr29  1  0.50000000  0.94626200  0.39497600  1
  Cr  Cr30  1  0.50000000  0.55373800  0.39497600  1
  Cr  Cr31  1  0.50000000  0.05373800  0.60502400  1
  N  N32  1  0.00000000  0.75000000  0.20096400  1
  N  N33  1  0.00000000  0.25000000  0.79903600  1
  N  N34  1  0.00000000  0.84374000  0.07942700  1
  N  N35  1  0.00000000  0.34374000  0.92057300  1
  N  N36  1  0.00000000  0.15626000  0.92057300  1
  N  N37  1  0.00000000  0.65626000  0.07942700  1
  N  N38  1  0.74939600  0.75000000  0.00984400  1
  N  N39  1  0.25060400  0.25000000  0.99015600  1
  N  N40  1  0.74939600  0.25000000  0.99015600  1
  N  N41  1  0.25060400  0.75000000  0.00984400  1
  N  N42  1  0.25000000  0.88059200  0.25000000  1
  N  N43  1  0.75000000  0.88059200  0.25000000  1
  N  N44  1  0.25000000  0.61940800  0.25000000  1
  N  N45  1  0.75000000  0.61940800  0.25000000  1
  N  N46  1  0.00000000  0.92239400  0.16526300  1
  N  N47  1  0.00000000  0.42239400  0.83473700  1
  N  N48  1  0.00000000  0.07760600  0.83473700  1
  N  N49  1  0.00000000  0.57760600  0.16526300  1
  N  N50  1  0.50000000  0.00000000  0.00000000  1
  N  N51  1  0.50000000  0.50000000  0.00000000  1
  N  N52  1  0.50000000  0.84553900  0.94078600  1
  N  N53  1  0.50000000  0.34553900  0.05921400  1
  N  N54  1  0.50000000  0.15446100  0.05921400  1
  N  N55  1  0.50000000  0.65446100  0.94078600  1
  N  N56  1  0.74992000  0.00206600  0.08632300  1
  N  N57  1  0.25008000  0.50206600  0.91367700  1
  N  N58  1  0.74992000  0.50206600  0.91367700  1
  N  N59  1  0.25008000  0.00206600  0.08632300  1
  N  N60  1  0.25008000  0.99793400  0.91367700  1
  N  N61  1  0.74992000  0.49793400  0.08632300  1
  N  N62  1  0.25008000  0.49793400  0.08632300  1
  N  N63  1  0.74992000  0.99793400  0.91367700  1
  N  N64  1  0.50000000  0.25000000  0.70096400  1
  N  N65  1  0.50000000  0.75000000  0.29903600  1
  N  N66  1  0.50000000  0.34374000  0.57942700  1
  N  N67  1  0.50000000  0.84374000  0.42057300  1
  N  N68  1  0.50000000  0.65626000  0.42057300  1
  N  N69  1  0.50000000  0.15626000  0.57942700  1
  N  N70  1  0.24939600  0.25000000  0.50984400  1
  N  N71  1  0.75060400  0.75000000  0.49015600  1
  N  N72  1  0.24939600  0.75000000  0.49015600  1
  N  N73  1  0.75060400  0.25000000  0.50984400  1
  N  N74  1  0.75000000  0.38059200  0.75000000  1
  N  N75  1  0.25000000  0.38059200  0.75000000  1
  N  N76  1  0.75000000  0.11940800  0.75000000  1
  N  N77  1  0.25000000  0.11940800  0.75000000  1
  N  N78  1  0.50000000  0.42239400  0.66526300  1
  N  N79  1  0.50000000  0.92239400  0.33473700  1
  N  N80  1  0.50000000  0.57760600  0.33473700  1
  N  N81  1  0.50000000  0.07760600  0.66526300  1
  N  N82  1  0.00000000  0.50000000  0.50000000  1
  N  N83  1  0.00000000  0.00000000  0.50000000  1
  N  N84  1  0.00000000  0.34553900  0.44078600  1
  N  N85  1  0.00000000  0.84553900  0.55921400  1
  N  N86  1  0.00000000  0.65446100  0.55921400  1
  N  N87  1  0.00000000  0.15446100  0.44078600  1
  N  N88  1  0.24992000  0.50206600  0.58632300  1
  N  N89  1  0.75008000  0.00206600  0.41367700  1
  N  N90  1  0.24992000  0.00206600  0.41367700  1
  N  N91  1  0.75008000  0.50206600  0.58632300  1
  N  N92  1  0.75008000  0.49793400  0.41367700  1
  N  N93  1  0.24992000  0.99793400  0.58632300  1
  N  N94  1  0.75008000  0.99793400  0.58632300  1
  N  N95  1  0.24992000  0.49793400  0.41367700  1
