# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48850909
_cell_length_b   5.48850909
_cell_length_c   9.45830653
_cell_angle_alpha   67.78353778
_cell_angle_beta   67.78353778
_cell_angle_gamma   56.09886566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   213.68069939
_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  0.68328000  0.94264500  0.31259900  1.0
  Cr  Cr1  1  0.05735500  0.31672000  0.18740100  1.0
  Cr  Cr2  1  0.31672000  0.05735500  0.68740100  1.0
  Cr  Cr3  1  0.94264500  0.68328000  0.81259900  1.0
  N  N4  1  0.00000000  0.50000000  0.00000000  1.0
  N  N5  1  0.50000000  0.00000000  0.50000000  1.0
  N  N6  1  0.57230600  0.82194400  0.80398200  1.0
  N  N7  1  0.17805600  0.42769400  0.69601800  1.0
  N  N8  1  0.42769400  0.17805600  0.19601800  1.0
  N  N9  1  0.82194400  0.57230600  0.30398200  1.0
  N  N10  1  0.97276500  0.02723500  0.25000000  1.0
  N  N11  1  0.02723500  0.97276500  0.75000000  1.0