# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.52187224
_cell_length_b   9.14111483
_cell_length_c   16.57471650
_cell_angle_alpha   90.00000000
_cell_angle_beta   105.76599912
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr28 N56'
_cell_volume   1971.64363470
_cell_formula_units_Z   28
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  0.13882300  0.18460600  0.88991000  1
  Cr  Cr1  1  0.13882300  0.81539400  0.88991000  1
  Cr  Cr2  1  0.86117700  0.81539400  0.11009000  1
  Cr  Cr3  1  0.86117700  0.18460600  0.11009000  1
  Cr  Cr4  1  0.88454900  0.81498000  0.78156200  1
  Cr  Cr5  1  0.88454900  0.18502000  0.78156200  1
  Cr  Cr6  1  0.11545100  0.18502000  0.21843800  1
  Cr  Cr7  1  0.11545100  0.81498000  0.21843800  1
  Cr  Cr8  1  0.90398300  0.31284300  0.59504300  1
  Cr  Cr9  1  0.90398300  0.68715700  0.59504300  1
  Cr  Cr10  1  0.09601700  0.68715700  0.40495700  1
  Cr  Cr11  1  0.09601700  0.31284300  0.40495700  1
  Cr  Cr12  1  0.13903600  0.81415800  0.59808600  1
  Cr  Cr13  1  0.13903600  0.18584200  0.59808600  1
  Cr  Cr14  1  0.86096400  0.18584200  0.40191400  1
  Cr  Cr15  1  0.86096400  0.81415800  0.40191400  1
  Cr  Cr16  1  0.29285600  0.31347500  0.77282500  1
  Cr  Cr17  1  0.29285600  0.68652500  0.77282500  1
  Cr  Cr18  1  0.70714400  0.68652500  0.22717500  1
  Cr  Cr19  1  0.70714400  0.31347500  0.22717500  1
  Cr  Cr20  1  0.51396100  0.81240900  0.90296800  1
  Cr  Cr21  1  0.51396100  0.18759100  0.90296800  1
  Cr  Cr22  1  0.48603900  0.18759100  0.09703200  1
  Cr  Cr23  1  0.48603900  0.81240900  0.09703200  1
  Cr  Cr24  1  0.24629900  0.68648400  0.08572200  1
  Cr  Cr25  1  0.24629900  0.31351600  0.08572200  1
  Cr  Cr26  1  0.75370100  0.31351600  0.91427800  1
  Cr  Cr27  1  0.75370100  0.68648400  0.91427800  1
  N  N28  1  0.16569300  0.00000000  0.89296300  1
  N  N29  1  0.83430700  0.00000000  0.10703700  1
  N  N30  1  0.85947000  0.00000000  0.77868000  1
  N  N31  1  0.14053000  0.00000000  0.22132000  1
  N  N32  1  0.88527900  0.50000000  0.58950700  1
  N  N33  1  0.11472100  0.50000000  0.41049300  1
  N  N34  1  0.11365900  0.00000000  0.59442900  1
  N  N35  1  0.88634100  0.00000000  0.40557100  1
  N  N36  1  0.28884700  0.50000000  0.75632100  1
  N  N37  1  0.71115300  0.50000000  0.24367900  1
  N  N38  1  0.50499000  0.00000000  0.89407900  1
  N  N39  1  0.49501000  0.00000000  0.10592100  1
  N  N40  1  0.25666700  0.50000000  0.07627600  1
  N  N41  1  0.74333300  0.50000000  0.92372400  1
  N  N42  1  0.84382000  0.23773000  0.49758900  1
  N  N43  1  0.84382000  0.76227000  0.49758900  1
  N  N44  1  0.15618000  0.76227000  0.50241100  1
  N  N45  1  0.15618000  0.23773000  0.50241100  1
  N  N46  1  0.16891200  0.24755300  0.99221500  1
  N  N47  1  0.16891200  0.75244700  0.99221500  1
  N  N48  1  0.83108800  0.75244700  0.00778500  1
  N  N49  1  0.83108800  0.24755300  0.00778500  1
  N  N50  1  0.41656900  0.26338600  0.82375400  1
  N  N51  1  0.41656900  0.73661400  0.82375400  1
  N  N52  1  0.58343100  0.73661400  0.17624600  1
  N  N53  1  0.58343100  0.26338600  0.17624600  1
  N  N54  1  0.21471100  0.27210100  0.83639800  1
  N  N55  1  0.21471100  0.72789900  0.83639800  1
  N  N56  1  0.78528900  0.72789900  0.16360200  1
  N  N57  1  0.78528900  0.27210100  0.16360200  1
  N  N58  1  0.01032400  0.21020400  0.83912300  1
  N  N59  1  0.01032400  0.78979600  0.83912300  1
  N  N60  1  0.98967600  0.78979600  0.16087700  1
  N  N61  1  0.98967600  0.21020400  0.16087700  1
  N  N62  1  0.03297100  0.27957700  0.61225400  1
  N  N63  1  0.03297100  0.72042300  0.61225400  1
  N  N64  1  0.96702900  0.72042300  0.38774600  1
  N  N65  1  0.96702900  0.27957700  0.38774600  1
  N  N66  1  0.80782900  0.72559500  0.83405900  1
  N  N67  1  0.80782900  0.27440500  0.83405900  1
  N  N68  1  0.19217100  0.27440500  0.16594100  1
  N  N69  1  0.19217100  0.72559500  0.16594100  1
  N  N70  1  0.50000000  0.76242100  -0.00000000  1
  N  N71  1  0.50000000  0.23757900  -0.00000000  1
  N  N72  1  0.86479400  0.75410600  0.67974800  1
  N  N73  1  0.86479400  0.24589400  0.67974800  1
  N  N74  1  0.13520600  0.24589400  0.32025200  1
  N  N75  1  0.13520600  0.75410600  0.32025200  1
  N  N76  1  0.63128600  0.75997700  0.89071700  1
  N  N77  1  0.63128600  0.24002300  0.89071700  1
  N  N78  1  0.36871400  0.24002300  0.10928300  1
  N  N79  1  0.36871400  0.75997700  0.10928300  1
  N  N80  1  0.24750000  0.77998300  0.67879500  1
  N  N81  1  0.24750000  0.22001700  0.67879500  1
  N  N82  1  0.75250000  0.22001700  0.32120500  1
  N  N83  1  0.75250000  0.77998300  0.32120500  1
