# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.91843308
_cell_length_b   5.40109598
_cell_length_c   9.45891811
_cell_angle_alpha   90.00000000
_cell_angle_beta   129.13602946
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr12 N24'
_cell_volume   591.16971815
_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  0.00000000  0.02341100  0.75000000  1
  Cr  Cr1  1  0.00000000  0.97658900  0.25000000  1
  Cr  Cr2  1  0.83137800  0.74662800  0.34083900  1
  Cr  Cr3  1  0.66862200  0.24662800  0.15916100  1
  Cr  Cr4  1  0.16862200  0.25337200  0.65916100  1
  Cr  Cr5  1  0.33137800  0.75337200  0.84083900  1
  Cr  Cr6  1  0.50000000  0.52341100  0.75000000  1
  Cr  Cr7  1  0.50000000  0.47658900  0.25000000  1
  Cr  Cr8  1  0.33137800  0.24662800  0.34083900  1
  Cr  Cr9  1  0.16862200  0.74662800  0.15916100  1
  Cr  Cr10  1  0.66862200  0.75337200  0.65916100  1
  Cr  Cr11  1  0.83137800  0.25337200  0.84083900  1
  N  N12  1  0.71736800  0.93791600  0.19855000  1
  N  N13  1  0.78263200  0.43791600  0.30145000  1
  N  N14  1  0.28263200  0.06208400  0.80145000  1
  N  N15  1  0.21736800  0.56208400  0.69855000  1
  N  N16  1  0.90122300  0.83793000  0.56308500  1
  N  N17  1  0.09877700  0.83793000  0.93691500  1
  N  N18  1  0.09877700  0.16207000  0.43691500  1
  N  N19  1  0.90122300  0.16207000  0.06308500  1
  N  N20  1  0.92647500  0.79542300  0.29596300  1
  N  N21  1  0.07352500  0.79542300  0.20403700  1
  N  N22  1  0.07352500  0.20457700  0.70403700  1
  N  N23  1  0.92647500  0.20457700  0.79596300  1
  N  N24  1  0.21736800  0.43791600  0.19855000  1
  N  N25  1  0.28263200  0.93791600  0.30145000  1
  N  N26  1  0.78263200  0.56208400  0.80145000  1
  N  N27  1  0.71736800  0.06208400  0.69855000  1
  N  N28  1  0.40122300  0.33793000  0.56308500  1
  N  N29  1  0.59877700  0.33793000  0.93691500  1
  N  N30  1  0.59877700  0.66207000  0.43691500  1
  N  N31  1  0.40122300  0.66207000  0.06308500  1
  N  N32  1  0.42647500  0.29542300  0.29596300  1
  N  N33  1  0.57352500  0.29542300  0.20403700  1
  N  N34  1  0.57352500  0.70457700  0.70403700  1
  N  N35  1  0.42647500  0.70457700  0.79596300  1
