# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27094334
_cell_length_b   5.61738098
_cell_length_c   7.52522885
_cell_angle_alpha   70.56572236
_cell_angle_beta   73.78247625
_cell_angle_gamma   87.18174948
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   201.52195439
_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  0.43362000  0.08791600  0.87463400  1
  Cr  Cr1  1  0.89351500  0.05074400  0.21683000  1
  Cr  Cr2  1  0.50059300  0.15036500  0.52274300  1
  Cr  Cr3  1  0.88449400  0.43038000  0.93831500  1
  N  N4  1  0.18432800  0.18964100  0.36396500  1
  N  N5  1  0.36294900  0.87183800  0.94554500  1
  N  N6  1  0.43401400  0.93582600  0.61534600  1
  N  N7  1  0.70977300  0.05258800  0.37492900  1
  N  N8  1  0.16711400  0.29376000  0.90588500  1
  N  N9  1  0.94225200  0.73338900  0.09714800  1
  N  N10  1  0.75540800  0.23117600  0.05047900  1
  N  N11  1  0.65499300  0.41787900  0.71743200  1
