# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09756376
_cell_length_b   5.31422286
_cell_length_c   6.67038748
_cell_angle_alpha   92.21439738
_cell_angle_beta   93.23621203
_cell_angle_gamma   109.95416299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   169.25605709
_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  0.21618800  0.13367200  0.89241100  1
  Cr  Cr1  1  0.32050000  0.93414400  0.45816300  1
  Cr  Cr2  1  0.52400200  0.72078900  0.83578000  1
  Cr  Cr3  1  0.79716400  0.42126400  0.18903600  1
  N  N4  1  0.21722900  0.14243500  0.64067700  1
  N  N5  1  0.46081500  0.72272100  0.56405700  1
  N  N6  1  0.01819000  0.72414300  0.31442000  1
  N  N7  1  0.83899500  0.92145700  0.87643000  1
  N  N8  1  0.01309500  0.30623500  0.07359400  1
  N  N9  1  0.54075000  0.45321300  0.98276300  1
  N  N10  1  0.34443900  0.90214100  0.97101800  1
  N  N11  1  0.57335300  0.17758600  0.33558000  1
