# generated using pymatgen data_Cr2NiN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45384500 _cell_length_b 2.70347600 _cell_length_c 12.77685900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2NiN2 _chemical_formula_sum 'Cr8 Ni4 N8' _cell_volume 188.38634128 _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 0.61048400 0.25000000 0.92371800 1.0 Cr Cr1 1 0.11048400 0.25000000 0.57628200 1.0 Cr Cr2 1 0.38951600 0.75000000 0.07628200 1.0 Cr Cr3 1 0.88951600 0.75000000 0.42371800 1.0 Cr Cr4 1 0.15995400 0.25000000 0.93078200 1.0 Cr Cr5 1 0.65995400 0.25000000 0.56921800 1.0 Cr Cr6 1 0.84004600 0.75000000 0.06921800 1.0 Cr Cr7 1 0.34004600 0.75000000 0.43078300 1.0 Ni Ni8 1 0.61387900 0.25000000 0.26807700 1.0 Ni Ni9 1 0.11387900 0.25000000 0.23192300 1.0 Ni Ni10 1 0.38612100 0.75000000 0.73192300 1.0 Ni Ni11 1 0.88612100 0.75000000 0.76807700 1.0 N N12 1 0.62244600 0.25000000 0.41688700 1.0 N N13 1 0.12244600 0.25000000 0.08311300 1.0 N N14 1 0.37755400 0.75000000 0.58311300 1.0 N N15 1 0.87755400 0.75000000 0.91688700 1.0 N N16 1 0.62706400 0.25000000 0.12621100 1.0 N N17 1 0.12706400 0.25000000 0.37378900 1.0 N N18 1 0.37293600 0.75000000 0.87378900 1.0 N N19 1 0.87293600 0.75000000 0.62621100 1.0