# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78713057
_cell_length_b   13.46649546
_cell_length_c   7.80426528
_cell_angle_alpha   90.00000000
_cell_angle_beta   119.90309992
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr16 N32'
_cell_volume   709.44369138
_cell_formula_units_Z   16
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  0.85829500  0.89237400  0.42612000  1
  Cr  Cr1  1  0.14170500  0.89237400  0.07388000  1
  Cr  Cr2  1  0.14170500  0.10762600  0.57388000  1
  Cr  Cr3  1  0.85829500  0.10762600  0.92612000  1
  Cr  Cr4  1  0.49506600  0.84293100  0.96276600  1
  Cr  Cr5  1  0.50493400  0.84293100  0.53723400  1
  Cr  Cr6  1  0.50493400  0.15706900  0.03723400  1
  Cr  Cr7  1  0.49506600  0.15706900  0.46276600  1
  Cr  Cr8  1  0.35829500  0.39237400  0.42612000  1
  Cr  Cr9  1  0.64170500  0.39237400  0.07388000  1
  Cr  Cr10  1  0.64170500  0.60762600  0.57388000  1
  Cr  Cr11  1  0.35829500  0.60762600  0.92612000  1
  Cr  Cr12  1  0.99506600  0.34293100  0.96276600  1
  Cr  Cr13  1  0.00493400  0.34293100  0.53723400  1
  Cr  Cr14  1  0.00493400  0.65706900  0.03723400  1
  Cr  Cr15  1  0.99506600  0.65706900  0.46276600  1
  N  N16  1  0.00000000  0.00000000  0.50000000  1
  N  N17  1  0.00000000  0.00000000  0.00000000  1
  N  N18  1  0.50000000  0.87577900  0.75000000  1
  N  N19  1  0.50000000  0.12422100  0.25000000  1
  N  N20  1  0.71910400  0.88272900  0.54201400  1
  N  N21  1  0.28089600  0.88272900  0.95798600  1
  N  N22  1  0.28089600  0.11727100  0.45798600  1
  N  N23  1  0.71910400  0.11727100  0.04201400  1
  N  N24  1  0.69749300  0.89024900  0.17467100  1
  N  N25  1  0.30250700  0.89024900  0.32532900  1
  N  N26  1  0.30250700  0.10975100  0.82532900  1
  N  N27  1  0.69749300  0.10975100  0.67467100  1
  N  N28  1  0.50026000  0.28447000  0.02048000  1
  N  N29  1  0.49974000  0.28447000  0.47952000  1
  N  N30  1  0.49974000  0.71553000  0.97952000  1
  N  N31  1  0.50026000  0.71553000  0.52048000  1
  N  N32  1  0.50000000  0.50000000  0.50000000  1
  N  N33  1  0.50000000  0.50000000  0.00000000  1
  N  N34  1  0.00000000  0.37577900  0.75000000  1
  N  N35  1  0.00000000  0.62422100  0.25000000  1
  N  N36  1  0.21910400  0.38272900  0.54201400  1
  N  N37  1  0.78089600  0.38272900  0.95798600  1
  N  N38  1  0.78089600  0.61727100  0.45798600  1
  N  N39  1  0.21910400  0.61727100  0.04201400  1
  N  N40  1  0.19749300  0.39024900  0.17467100  1
  N  N41  1  0.80250700  0.39024900  0.32532900  1
  N  N42  1  0.80250700  0.60975100  0.82532900  1
  N  N43  1  0.19749300  0.60975100  0.67467100  1
  N  N44  1  0.00026000  0.78447000  0.02048000  1
  N  N45  1  0.99974000  0.78447000  0.47952000  1
  N  N46  1  0.99974000  0.21553000  0.97952000  1
  N  N47  1  0.00026000  0.21553000  0.52048000  1
