# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52694865
_cell_length_b   8.77458816
_cell_length_c   6.97074451
_cell_angle_alpha   90.00000000
_cell_angle_beta   116.61550194
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr8 N16'
_cell_volume   411.60291165
_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  0.21309400  0.99803500  0.22270100  1
  Cr  Cr1  1  0.78690600  0.99803500  0.77729900  1
  Cr  Cr2  1  0.40009900  0.81878400  0.63515700  1
  Cr  Cr3  1  0.59990100  0.81878400  0.36484300  1
  Cr  Cr4  1  0.71309400  0.49803500  0.22270100  1
  Cr  Cr5  1  0.28690600  0.49803500  0.77729900  1
  Cr  Cr6  1  0.90009900  0.31878400  0.63515700  1
  Cr  Cr7  1  0.09990100  0.31878400  0.36484300  1
  N  N8  1  0.50000000  0.70998700  0.50000000  1
  N  N9  1  0.50000000  0.44209600  0.00000000  1
  N  N10  1  0.79464700  0.92902800  0.54810000  1
  N  N11  1  0.20535300  0.92902800  0.45190000  1
  N  N12  1  0.42480700  0.94514100  0.19110700  1
  N  N13  1  0.57519300  0.94514100  0.80889300  1
  N  N14  1  0.30916400  0.69284600  0.76549100  1
  N  N15  1  0.69083600  0.69284600  0.23450900  1
  N  N16  1  0.00000000  0.20998700  0.50000000  1
  N  N17  1  0.00000000  0.94209600  0.00000000  1
  N  N18  1  0.29464700  0.42902800  0.54810000  1
  N  N19  1  0.70535300  0.42902800  0.45190000  1
  N  N20  1  0.92480700  0.44514100  0.19110700  1
  N  N21  1  0.07519300  0.44514100  0.80889300  1
  N  N22  1  0.80916400  0.19284600  0.76549100  1
  N  N23  1  0.19083600  0.19284600  0.23450900  1
