# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90401149
_cell_length_b   9.90401149
_cell_length_c   9.92800189
_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   'Cr12 N24'
_cell_volume   973.83218139
_cell_formula_units_Z   12
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  0.81046500  0.18953500  0.75000000  1
  Cr  Cr1  1  0.18953500  0.81046500  0.25000000  1
  Cr  Cr2  1  0.68953500  0.68953500  0.50000000  1
  Cr  Cr3  1  0.31046500  0.31046500  0.00000000  1
  Cr  Cr4  1  0.86614100  0.49322700  0.64990000  1
  Cr  Cr5  1  0.13385900  0.50677300  0.14990000  1
  Cr  Cr6  1  0.99322700  0.63385900  0.39990000  1
  Cr  Cr7  1  0.00677300  0.36614100  0.89990000  1
  Cr  Cr8  1  0.50677300  0.13385900  0.85010000  1
  Cr  Cr9  1  0.49322700  0.86614100  0.35010000  1
  Cr  Cr10  1  0.63385900  0.99322700  0.60010000  1
  Cr  Cr11  1  0.36614100  0.00677300  0.10010000  1
  N  N12  1  0.00659000  0.56069200  0.55021200  1
  N  N13  1  0.99341000  0.43930800  0.05021200  1
  N  N14  1  0.06069200  0.49341000  0.30021200  1
  N  N15  1  0.93930800  0.50659000  0.80021200  1
  N  N16  1  0.43930800  0.99341000  0.94978800  1
  N  N17  1  0.56069200  0.00659000  0.44978800  1
  N  N18  1  0.49341000  0.06069200  0.69978800  1
  N  N19  1  0.50659000  0.93930800  0.19978800  1
  N  N20  1  0.70189200  0.56497000  0.61799500  1
  N  N21  1  0.29810800  0.43503000  0.11799500  1
  N  N22  1  0.06497000  0.79810800  0.36799500  1
  N  N23  1  0.93503000  0.20189200  0.86799500  1
  N  N24  1  0.43503000  0.29810800  0.88200500  1
  N  N25  1  0.56497000  0.70189200  0.38200500  1
  N  N26  1  0.79810800  0.06497000  0.63200500  1
  N  N27  1  0.20189200  0.93503000  0.13200500  1
  N  N28  1  0.82143700  0.32825200  0.63546100  1
  N  N29  1  0.17856300  0.67174800  0.13546100  1
  N  N30  1  0.82825200  0.67856300  0.38546100  1
  N  N31  1  0.17174800  0.32143700  0.88546100  1
  N  N32  1  0.67174800  0.17856300  0.86453900  1
  N  N33  1  0.32825200  0.82143700  0.36453900  1
  N  N34  1  0.67856300  0.82825200  0.61453900  1
  N  N35  1  0.32143700  0.17174800  0.11453900  1
