# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48232053
_cell_length_b   5.48232053
_cell_length_c   5.99334700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000636
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr3 N6'
_cell_volume   156.00153558
_cell_formula_units_Z   3
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  0.51306100  0.51306100  0.00000000  1.0
  Cr  Cr1  1  0.48693900  0.00000000  0.66666700  1.0
  Cr  Cr2  1  0.00000000  0.48693900  0.33333300  1.0
  N  N3  1  0.57023600  0.80208900  0.85494800  1.0
  N  N4  1  0.19791100  0.76814700  0.52161500  1.0
  N  N5  1  0.23185300  0.42976400  0.18828100  1.0
  N  N6  1  0.80208900  0.57023600  0.14505200  1.0
  N  N7  1  0.76814700  0.19791100  0.47838500  1.0
  N  N8  1  0.42976400  0.23185300  0.81171900  1.0