# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39587158
_cell_length_b   5.76015211
_cell_length_c   6.22582741
_cell_angle_alpha   76.78512135
_cell_angle_beta   83.35742081
_cell_angle_gamma   62.21038068
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   166.64495805
_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  0.63140200  0.22283100  0.08130200  1
  Cr  Cr1  1  0.74545700  0.71759200  0.91550100  1
  Cr  Cr2  1  0.07542600  0.94147500  0.47798900  1
  Cr  Cr3  1  0.67231700  0.48955200  0.37938000  1
  N  N4  1  0.63575600  0.49490600  0.87399700  1
  N  N5  1  0.94042400  0.24892700  0.55815100  1
  N  N6  1  0.95281600  0.99699900  0.20813700  1
  N  N7  1  0.44312300  0.78209400  0.47710500  1
  N  N8  1  0.96266700  0.75768200  0.68989500  1
  N  N9  1  0.44298800  0.38721800  0.29293100  1
  N  N10  1  0.88051400  0.58844800  0.17575000  1
  N  N11  1  0.50972900  0.04617700  0.96870300  1
