# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16843445
_cell_length_b   7.51396306
_cell_length_c   7.56438834
_cell_angle_alpha   113.73704421
_cell_angle_beta   102.57545851
_cell_angle_gamma   102.81293795
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr4 N8'
_cell_volume   246.22153720
_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  0.55479600  0.47161100  0.84966500  1
  Cr  Cr1  1  0.18750500  0.37133000  0.43977900  1
  Cr  Cr2  1  0.18406000  0.71416700  0.83467500  1
  Cr  Cr3  1  0.55204800  0.22736300  0.12633900  1
  N  N4  1  0.65607500  0.35308700  0.98996400  1
  N  N5  1  0.17100700  0.61509200  0.57907200  1
  N  N6  1  0.39393500  0.63745900  0.97909600  1
  N  N7  1  0.31288200  0.98256400  0.95609200  1
  N  N8  1  0.38846000  0.36279200  0.28311600  1
  N  N9  1  0.83839600  0.21545200  0.28124300  1
  N  N10  1  0.33983800  0.28063200  0.59637800  1
  N  N11  1  0.85220800  0.62360100  0.84164000  1
