# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   27.53404967
_cell_length_b   5.70797048
_cell_length_c   13.03213821
_cell_angle_alpha   90.00000000
_cell_angle_beta   109.32458249
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr28 N56'
_cell_volume   1932.78079019
_cell_formula_units_Z   28
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  0.93017400  0.00000000  0.83231300  1
  Cr  Cr1  1  0.56982600  0.50000000  0.16768700  1
  Cr  Cr2  1  0.93766700  0.00000000  0.09186200  1
  Cr  Cr3  1  0.56233300  0.50000000  0.90813800  1
  Cr  Cr4  1  0.62972400  0.00000000  0.28764600  1
  Cr  Cr5  1  0.87027600  0.50000000  0.71235400  1
  Cr  Cr6  1  0.62168300  0.00000000  0.87858800  1
  Cr  Cr7  1  0.87831700  0.50000000  0.12141200  1
  Cr  Cr8  1  0.70953300  0.00000000  0.13663600  1
  Cr  Cr9  1  0.79046700  0.50000000  0.86336400  1
  Cr  Cr10  1  0.72087600  0.00000000  0.78622300  1
  Cr  Cr11  1  0.77912400  0.50000000  0.21377700  1
  Cr  Cr12  1  0.71898400  0.00000000  0.52095700  1
  Cr  Cr13  1  0.78101600  0.50000000  0.47904300  1
  Cr  Cr14  1  0.43017400  0.50000000  0.83231300  1
  Cr  Cr15  1  0.06982600  0.00000000  0.16768700  1
  Cr  Cr16  1  0.43766700  0.50000000  0.09186200  1
  Cr  Cr17  1  0.06233300  0.00000000  0.90813800  1
  Cr  Cr18  1  0.12972400  0.50000000  0.28764600  1
  Cr  Cr19  1  0.37027600  0.00000000  0.71235400  1
  Cr  Cr20  1  0.12168300  0.50000000  0.87858800  1
  Cr  Cr21  1  0.37831700  0.00000000  0.12141200  1
  Cr  Cr22  1  0.20953300  0.50000000  0.13663600  1
  Cr  Cr23  1  0.29046700  0.00000000  0.86336400  1
  Cr  Cr24  1  0.22087600  0.50000000  0.78622300  1
  Cr  Cr25  1  0.27912400  0.00000000  0.21377700  1
  Cr  Cr26  1  0.21898400  0.50000000  0.52095700  1
  Cr  Cr27  1  0.28101600  0.00000000  0.47904300  1
  N  N28  1  0.91542800  0.00000000  0.95153600  1
  N  N29  1  0.58457200  0.50000000  0.04846400  1
  N  N30  1  0.99519500  0.00000000  0.86547200  1
  N  N31  1  0.50480500  0.50000000  0.13452800  1
  N  N32  1  0.90460200  0.24505900  0.75446200  1
  N  N33  1  0.90460200  0.75494100  0.75446200  1
  N  N34  1  0.59539800  0.25494100  0.24553800  1
  N  N35  1  0.59539800  0.74505900  0.24553800  1
  N  N36  1  0.67741600  0.00000000  0.22865400  1
  N  N37  1  0.82258400  0.50000000  0.77134600  1
  N  N38  1  0.58465700  0.74576700  0.86204200  1
  N  N39  1  0.58465700  0.25423300  0.86204200  1
  N  N40  1  0.91534300  0.75423300  0.13795800  1
  N  N41  1  0.91534300  0.24576700  0.13795800  1
  N  N42  1  0.65728500  0.00000000  0.42757300  1
  N  N43  1  0.84271500  0.50000000  0.57242700  1
  N  N44  1  0.75000000  0.25000000  0.50000000  1
  N  N45  1  0.75000000  0.75000000  0.50000000  1
  N  N46  1  0.75516600  0.24516200  0.84964300  1
  N  N47  1  0.75516600  0.75483800  0.84964300  1
  N  N48  1  0.74483400  0.25483800  0.15035700  1
  N  N49  1  0.74483400  0.74516200  0.15035700  1
  N  N50  1  0.65933100  0.00000000  0.79514900  1
  N  N51  1  0.84066900  0.50000000  0.20485100  1
  N  N52  1  0.66233000  0.00000000  0.00804700  1
  N  N53  1  0.83767000  0.50000000  0.99195300  1
  N  N54  1  0.71628100  0.00000000  0.65201600  1
  N  N55  1  0.78371900  0.50000000  0.34798400  1
  N  N56  1  0.41542800  0.50000000  0.95153600  1
  N  N57  1  0.08457200  0.00000000  0.04846400  1
  N  N58  1  0.49519500  0.50000000  0.86547200  1
  N  N59  1  0.00480500  0.00000000  0.13452800  1
  N  N60  1  0.40460200  0.74505900  0.75446200  1
  N  N61  1  0.40460200  0.25494100  0.75446200  1
  N  N62  1  0.09539800  0.75494100  0.24553800  1
  N  N63  1  0.09539800  0.24505900  0.24553800  1
  N  N64  1  0.17741600  0.50000000  0.22865400  1
  N  N65  1  0.32258400  0.00000000  0.77134600  1
  N  N66  1  0.08465700  0.24576700  0.86204200  1
  N  N67  1  0.08465700  0.75423300  0.86204200  1
  N  N68  1  0.41534300  0.25423300  0.13795800  1
  N  N69  1  0.41534300  0.74576700  0.13795800  1
  N  N70  1  0.15728500  0.50000000  0.42757300  1
  N  N71  1  0.34271500  0.00000000  0.57242700  1
  N  N72  1  0.25000000  0.75000000  0.50000000  1
  N  N73  1  0.25000000  0.25000000  0.50000000  1
  N  N74  1  0.25516600  0.74516200  0.84964300  1
  N  N75  1  0.25516600  0.25483800  0.84964300  1
  N  N76  1  0.24483400  0.75483800  0.15035700  1
  N  N77  1  0.24483400  0.24516200  0.15035700  1
  N  N78  1  0.15933100  0.50000000  0.79514900  1
  N  N79  1  0.34066900  0.00000000  0.20485100  1
  N  N80  1  0.16233000  0.50000000  0.00804700  1
  N  N81  1  0.33767000  0.00000000  0.99195300  1
  N  N82  1  0.21628100  0.50000000  0.65201600  1
  N  N83  1  0.28371900  0.00000000  0.34798400  1
