# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.23257038
_cell_length_b   16.23257038
_cell_length_c   16.23257038
_cell_angle_alpha   159.81626046
_cell_angle_beta   124.77945909
_cell_angle_gamma   59.40208295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr16 N32'
_cell_volume   1206.87280406
_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  0.07776000  0.21677500  0.86098500  1.0
  Cr  Cr1  1  0.14421000  0.78322500  0.36098500  1.0
  Cr  Cr2  1  0.92224000  0.78322500  0.13901500  1.0
  Cr  Cr3  1  0.85579000  0.21677500  0.63901500  1.0
  Cr  Cr4  1  0.72433400  0.47433400  0.25000000  1.0
  Cr  Cr5  1  0.27566600  0.52566600  0.75000000  1.0
  Cr  Cr6  1  0.09689900  0.55782800  0.53907100  1.0
  Cr  Cr7  1  0.48124300  0.44217200  0.03907100  1.0
  Cr  Cr8  1  0.90310100  0.44217200  0.46092900  1.0
  Cr  Cr9  1  0.51875700  0.55782800  0.96092900  1.0
  Cr  Cr10  1  0.79349100  0.04349100  0.75000000  1.0
  Cr  Cr11  1  0.20650900  0.95650900  0.25000000  1.0
  Cr  Cr12  1  0.05128700  0.10502400  0.94626200  1.0
  Cr  Cr13  1  0.34123800  0.89497600  0.44626200  1.0
  Cr  Cr14  1  0.94871300  0.89497600  0.05373800  1.0
  Cr  Cr15  1  0.65876200  0.10502400  0.55373800  1.0
  N  N16  1  0.95096400  0.20096400  0.75000000  1.0
  N  N17  1  0.04903600  0.79903600  0.25000000  1.0
  N  N18  1  0.92316600  0.07942700  0.84374000  1.0
  N  N19  1  0.26431300  0.92057300  0.34374000  1.0
  N  N20  1  0.07683400  0.92057300  0.15626000  1.0
  N  N21  1  0.73568700  0.07942700  0.65626000  1.0
  N  N22  1  0.75984400  0.75924100  0.49939600  1.0
  N  N23  1  0.24015600  0.24075900  0.50060400  1.0
  N  N24  1  0.24015600  0.73955200  0.99939600  1.0
  N  N25  1  0.75984400  0.26044800  0.00060400  1.0
  N  N26  1  0.13059200  0.50000000  0.13059200  1.0
  N  N27  1  0.13059200  0.00000000  0.63059200  1.0
  N  N28  1  0.86940800  0.50000000  0.86940800  1.0
  N  N29  1  0.86940800  0.00000000  0.36940800  1.0
  N  N30  1  0.08765700  0.16526300  0.92239400  1.0
  N  N31  1  0.25713100  0.83473700  0.42239400  1.0
  N  N32  1  0.91234300  0.83473700  0.07760600  1.0
  N  N33  1  0.74286900  0.16526300  0.57760600  1.0
  N  N34  1  0.00000000  0.50000000  0.50000000  1.0
  N  N35  1  0.50000000  0.50000000  0.00000000  1.0
  N  N36  1  0.78632500  0.44078600  0.34553900  1.0
  N  N37  1  0.40475300  0.55921400  0.84553900  1.0
  N  N38  1  0.21367500  0.55921400  0.65446100  1.0
  N  N39  1  0.59524700  0.44078600  0.15446100  1.0
  N  N40  1  0.08838900  0.83624300  0.75198600  1.0
  N  N41  1  0.41574300  0.16375700  0.75214600  1.0
  N  N42  1  0.41574300  0.66359700  0.25198600  1.0
  N  N43  1  0.08838900  0.33640300  0.25214600  1.0
  N  N44  1  0.91161100  0.16375700  0.24801400  1.0
  N  N45  1  0.58425700  0.83624300  0.24785400  1.0
  N  N46  1  0.58425700  0.33640300  0.74801400  1.0
  N  N47  1  0.91161100  0.66359700  0.74785400  1.0