# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56180540
_cell_length_b   4.60654016
_cell_length_c   8.20602432
_cell_angle_alpha   90.00000000
_cell_angle_beta   96.32929971
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   171.39145477
_cell_formula_units_Z   4
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  0.17799600  0.01546600  0.68213400  1
  Cr  Cr1  1  0.82200400  0.01546600  0.31786600  1
  Cr  Cr2  1  0.39694500  0.41836500  0.18771000  1
  Cr  Cr3  1  0.60305500  0.41836500  0.81229000  1
  N  N4  1  0.07225600  0.23791200  0.21087300  1
  N  N5  1  0.92774400  0.23791200  0.78912700  1
  N  N6  1  0.50000000  0.31055900  0.00000000  1
  N  N7  1  0.39938300  0.27132100  0.62775500  1
  N  N8  1  0.60061700  0.27132100  0.37224500  1
  N  N9  1  0.00000000  0.87870300  0.50000000  1
  N  N10  1  0.55555100  0.75914500  0.22178100  1
  N  N11  1  0.44444900  0.75914500  0.77821900  1
