# generated using pymatgen data_CrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.14111500 _cell_length_b 13.52187200 _cell_length_c 16.57471677 _cell_angle_alpha 74.23400057 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN2 _chemical_formula_sum 'Cr28 N56' _cell_volume 1971.64366554 _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 0.18460600 0.13882300 0.11009000 1.0 Cr Cr1 1 0.81539400 0.13882300 0.11009000 1.0 Cr Cr2 1 0.81539400 0.86117700 0.88991000 1.0 Cr Cr3 1 0.18460600 0.86117700 0.88991000 1.0 Cr Cr4 1 0.81498000 0.88454900 0.21843800 1.0 Cr Cr5 1 0.18502000 0.88454900 0.21843800 1.0 Cr Cr6 1 0.18502000 0.11545100 0.78156200 1.0 Cr Cr7 1 0.81498000 0.11545100 0.78156200 1.0 Cr Cr8 1 0.31284300 0.90398300 0.40495700 1.0 Cr Cr9 1 0.68715700 0.90398300 0.40495700 1.0 Cr Cr10 1 0.68715700 0.09601700 0.59504300 1.0 Cr Cr11 1 0.31284300 0.09601700 0.59504300 1.0 Cr Cr12 1 0.81415800 0.13903600 0.40191400 1.0 Cr Cr13 1 0.18584200 0.13903600 0.40191400 1.0 Cr Cr14 1 0.18584200 0.86096400 0.59808600 1.0 Cr Cr15 1 0.81415800 0.86096400 0.59808600 1.0 Cr Cr16 1 0.31347500 0.29285600 0.22717500 1.0 Cr Cr17 1 0.68652500 0.29285600 0.22717500 1.0 Cr Cr18 1 0.68652500 0.70714400 0.77282500 1.0 Cr Cr19 1 0.31347500 0.70714400 0.77282500 1.0 Cr Cr20 1 0.81240900 0.51396100 0.09703200 1.0 Cr Cr21 1 0.18759100 0.51396100 0.09703200 1.0 Cr Cr22 1 0.18759100 0.48603900 0.90296800 1.0 Cr Cr23 1 0.81240900 0.48603900 0.90296800 1.0 Cr Cr24 1 0.68648400 0.24629900 0.91427800 1.0 Cr Cr25 1 0.31351600 0.24629900 0.91427800 1.0 Cr Cr26 1 0.31351600 0.75370100 0.08572200 1.0 Cr Cr27 1 0.68648400 0.75370100 0.08572200 1.0 N N28 1 0.00000000 0.16569300 0.10703700 1.0 N N29 1 0.00000000 0.83430700 0.89296300 1.0 N N30 1 0.00000000 0.85947000 0.22132000 1.0 N N31 1 0.00000000 0.14053000 0.77868000 1.0 N N32 1 0.50000000 0.88527900 0.41049300 1.0 N N33 1 0.50000000 0.11472100 0.58950700 1.0 N N34 1 0.00000000 0.11365900 0.40557100 1.0 N N35 1 0.00000000 0.88634100 0.59442900 1.0 N N36 1 0.50000000 0.28884700 0.24367900 1.0 N N37 1 0.50000000 0.71115300 0.75632100 1.0 N N38 1 0.00000000 0.50499000 0.10592100 1.0 N N39 1 0.00000000 0.49501000 0.89407900 1.0 N N40 1 0.50000000 0.25666700 0.92372400 1.0 N N41 1 0.50000000 0.74333300 0.07627600 1.0 N N42 1 0.23773000 0.84382000 0.50241100 1.0 N N43 1 0.76227000 0.84382000 0.50241100 1.0 N N44 1 0.76227000 0.15618000 0.49758900 1.0 N N45 1 0.23773000 0.15618000 0.49758900 1.0 N N46 1 0.24755300 0.16891200 0.00778500 1.0 N N47 1 0.75244700 0.16891200 0.00778500 1.0 N N48 1 0.75244700 0.83108800 0.99221500 1.0 N N49 1 0.24755300 0.83108800 0.99221500 1.0 N N50 1 0.26338600 0.41656900 0.17624600 1.0 N N51 1 0.73661400 0.41656900 0.17624600 1.0 N N52 1 0.73661400 0.58343100 0.82375400 1.0 N N53 1 0.26338600 0.58343100 0.82375400 1.0 N N54 1 0.27210100 0.21471100 0.16360200 1.0 N N55 1 0.72789900 0.21471100 0.16360200 1.0 N N56 1 0.72789900 0.78528900 0.83639800 1.0 N N57 1 0.27210100 0.78528900 0.83639800 1.0 N N58 1 0.21020400 0.01032400 0.16087700 1.0 N N59 1 0.78979600 0.01032400 0.16087700 1.0 N N60 1 0.78979600 0.98967600 0.83912300 1.0 N N61 1 0.21020400 0.98967600 0.83912300 1.0 N N62 1 0.27957700 0.03297100 0.38774600 1.0 N N63 1 0.72042300 0.03297100 0.38774600 1.0 N N64 1 0.72042300 0.96702900 0.61225400 1.0 N N65 1 0.27957700 0.96702900 0.61225400 1.0 N N66 1 0.72559500 0.80782900 0.16594100 1.0 N N67 1 0.27440500 0.80782900 0.16594100 1.0 N N68 1 0.27440500 0.19217100 0.83405900 1.0 N N69 1 0.72559500 0.19217100 0.83405900 1.0 N N70 1 0.76242100 0.50000000 0.00000000 1.0 N N71 1 0.23757900 0.50000000 0.00000000 1.0 N N72 1 0.75410600 0.86479400 0.32025200 1.0 N N73 1 0.24589400 0.86479400 0.32025200 1.0 N N74 1 0.24589400 0.13520600 0.67974800 1.0 N N75 1 0.75410600 0.13520600 0.67974800 1.0 N N76 1 0.75997700 0.63128600 0.10928300 1.0 N N77 1 0.24002300 0.63128600 0.10928300 1.0 N N78 1 0.24002300 0.36871400 0.89071700 1.0 N N79 1 0.75997700 0.36871400 0.89071700 1.0 N N80 1 0.77998300 0.24750000 0.32120500 1.0 N N81 1 0.22001700 0.24750000 0.32120500 1.0 N N82 1 0.22001700 0.75250000 0.67879500 1.0 N N83 1 0.77998300 0.75250000 0.67879500 1.0