# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40521315
_cell_length_b   5.57642507
_cell_length_c   4.81774185
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   118.34947163
_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  0.00000000  0.25000000  0.91670000  1
  Cr  Cr1  1  0.50000000  0.75000000  0.58330000  1
  Cr  Cr2  1  0.00000000  0.75000000  0.08330000  1
  Cr  Cr3  1  0.50000000  0.25000000  0.41670000  1
  N  N4  1  0.28025600  0.42474400  0.63646200  1
  N  N5  1  0.21974400  0.92474400  0.86353800  1
  N  N6  1  0.78025600  0.57525600  0.86353800  1
  N  N7  1  0.71974400  0.07525600  0.63646200  1
  N  N8  1  0.71974400  0.57525600  0.36353800  1
  N  N9  1  0.78025600  0.07525600  0.13646200  1
  N  N10  1  0.21974400  0.42474400  0.13646200  1
  N  N11  1  0.28025600  0.92474400  0.36353800  1
