# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67657567
_cell_length_b   4.56837867
_cell_length_c   8.41862923
_cell_angle_alpha   90.00000000
_cell_angle_beta   115.80926915
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   161.91749548
_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  0.01144700  0.48288000  0.49119900  1
  Cr  Cr1  1  0.01144700  0.51712000  0.99119900  1
  Cr  Cr2  1  0.30566500  0.12757200  0.86930000  1
  Cr  Cr3  1  0.30566500  0.87242800  0.36930000  1
  N  N4  1  0.29581400  0.25798000  0.07020800  1
  N  N5  1  0.29581400  0.74202000  0.57020800  1
  N  N6  1  0.65576900  0.27070400  0.89890000  1
  N  N7  1  0.65576900  0.72929600  0.39890000  1
  N  N8  1  0.14374900  0.22305800  0.38977100  1
  N  N9  1  0.14374900  0.77694200  0.88977100  1
  N  N10  1  0.03492500  0.29367100  0.67581200  1
  N  N11  1  0.03492500  0.70632900  0.17581200  1
