# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96142789
_cell_length_b   3.96142789
_cell_length_c   7.76365027
_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   105.51157474
_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  0.50000000  0.50000000  0.83333300  1
  Cr  Cr1  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr2  1  0.00000000  0.50000000  0.16666700  1
  N  N3  1  0.40632800  0.59367200  0.33333300  1
  N  N4  1  0.40632800  0.81265700  0.00000000  1
  N  N5  1  0.18734300  0.59367200  0.66666700  1
  N  N6  1  0.59367200  0.40632800  0.33333300  1
  N  N7  1  0.59367200  0.18734300  0.00000000  1
  N  N8  1  0.81265700  0.40632800  0.66666700  1
