# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.69167771
_cell_length_b   5.53304459
_cell_length_c   4.94492477
_cell_angle_alpha   90.00000000
_cell_angle_beta   99.83865845
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr12 N24'
_cell_volume   369.10153342
_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  0.66929800  0.41626100  0.28996600  1
  Cr  Cr1  1  0.83070200  0.91626100  0.21003400  1
  Cr  Cr2  1  0.83070200  0.08373900  0.71003400  1
  Cr  Cr3  1  0.66929800  0.58373900  0.78996600  1
  Cr  Cr4  1  0.00000000  0.57523800  0.75000000  1
  Cr  Cr5  1  0.00000000  0.42476200  0.25000000  1
  Cr  Cr6  1  0.16929800  0.91626100  0.28996600  1
  Cr  Cr7  1  0.33070200  0.41626100  0.21003400  1
  Cr  Cr8  1  0.33070200  0.58373900  0.71003400  1
  Cr  Cr9  1  0.16929800  0.08373900  0.78996600  1
  Cr  Cr10  1  0.50000000  0.07523800  0.75000000  1
  Cr  Cr11  1  0.50000000  0.92476200  0.25000000  1
  N  N12  1  0.59573700  0.63867000  0.47641300  1
  N  N13  1  0.90426300  0.13867000  0.02358700  1
  N  N14  1  0.90426300  0.86133000  0.52358700  1
  N  N15  1  0.59573700  0.36133000  0.97641300  1
  N  N16  1  0.57088300  0.86460800  0.96525700  1
  N  N17  1  0.92911700  0.36460800  0.53474300  1
  N  N18  1  0.92911700  0.63539200  0.03474300  1
  N  N19  1  0.57088300  0.13539200  0.46525700  1
  N  N20  1  0.74369200  0.62889400  0.19982700  1
  N  N21  1  0.75630800  0.12889400  0.30017300  1
  N  N22  1  0.75630800  0.87110600  0.80017300  1
  N  N23  1  0.74369200  0.37110600  0.69982700  1
  N  N24  1  0.09573700  0.13867000  0.47641300  1
  N  N25  1  0.40426300  0.63867000  0.02358700  1
  N  N26  1  0.40426300  0.36133000  0.52358700  1
  N  N27  1  0.09573700  0.86133000  0.97641300  1
  N  N28  1  0.07088300  0.36460800  0.96525700  1
  N  N29  1  0.42911700  0.86460800  0.53474300  1
  N  N30  1  0.42911700  0.13539200  0.03474300  1
  N  N31  1  0.07088300  0.63539200  0.46525700  1
  N  N32  1  0.24369200  0.12889400  0.19982700  1
  N  N33  1  0.25630800  0.62889400  0.30017300  1
  N  N34  1  0.25630800  0.37110600  0.80017300  1
  N  N35  1  0.24369200  0.87110600  0.69982700  1
