# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16900824
_cell_length_b   4.16900824
_cell_length_c   4.68267728
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr3 N6'
_cell_volume   70.48397150
_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  0.62106400  0.62106400  0.00000000  1
  Cr  Cr1  1  0.37893600  0.00000000  0.66666700  1
  Cr  Cr2  1  0.00000000  0.37893600  0.33333300  1
  N  N3  1  0.65213700  0.80896800  0.41994300  1
  N  N4  1  0.19103200  0.84317000  0.08661000  1
  N  N5  1  0.15683000  0.34786300  0.75327700  1
  N  N6  1  0.80896800  0.65213700  0.58005700  1
  N  N7  1  0.84317000  0.19103200  0.91339000  1
  N  N8  1  0.34786300  0.15683000  0.24672300  1
