# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32552602
_cell_length_b   8.02857036
_cell_length_c   7.32892672
_cell_angle_alpha   90.00000000
_cell_angle_beta   102.87405418
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr8 N16'
_cell_volume   420.20444230
_cell_formula_units_Z   8
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  0.01376500  0.00070300  0.23388900  1
  Cr  Cr1  1  0.98623500  0.00070300  0.76611100  1
  Cr  Cr2  1  0.30956100  0.87354200  0.57761200  1
  Cr  Cr3  1  0.69043900  0.87354200  0.42238800  1
  Cr  Cr4  1  0.51376500  0.50070300  0.23388900  1
  Cr  Cr5  1  0.48623500  0.50070300  0.76611100  1
  Cr  Cr6  1  0.80956100  0.37354200  0.57761200  1
  Cr  Cr7  1  0.19043900  0.37354200  0.42238800  1
  N  N8  1  0.50000000  0.95096200  0.50000000  1
  N  N9  1  0.50000000  0.46044300  0.00000000  1
  N  N10  1  0.62029000  0.68935300  0.30037100  1
  N  N11  1  0.37971000  0.68935300  0.69962900  1
  N  N12  1  0.64166600  0.34542000  0.37296800  1
  N  N13  1  0.35833400  0.34542000  0.62703200  1
  N  N14  1  0.20973400  0.00124400  0.72038300  1
  N  N15  1  0.79026600  0.00124400  0.27961700  1
  N  N16  1  0.00000000  0.45096200  0.50000000  1
  N  N17  1  0.00000000  0.96044300  0.00000000  1
  N  N18  1  0.12029000  0.18935300  0.30037100  1
  N  N19  1  0.87971000  0.18935300  0.69962900  1
  N  N20  1  0.14166600  0.84542000  0.37296800  1
  N  N21  1  0.85833400  0.84542000  0.62703200  1
  N  N22  1  0.70973400  0.50124400  0.72038300  1
  N  N23  1  0.29026600  0.50124400  0.27961700  1
