# generated using pymatgen data_Ba3(CoN2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15051619 _cell_length_b 10.25072616 _cell_length_c 10.01400862 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3(CoN2)2 _chemical_formula_sum 'Ba12 Co8 N16' _cell_volume 631.35577713 _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 Ba Ba0 1 0.60008931 0.15732719 0.41500622 1.0 Ba Ba1 1 0.89991069 0.84267281 0.41500622 1.0 Ba Ba2 1 0.60008931 0.34267281 0.08499378 1.0 Ba Ba3 1 0.89991069 0.65732719 0.08499378 1.0 Ba Ba4 1 0.39991069 0.84267281 0.58499378 1.0 Ba Ba5 1 0.10008931 0.15732719 0.58499378 1.0 Ba Ba6 1 0.39991069 0.65732719 0.91500622 1.0 Ba Ba7 1 0.10008931 0.34267281 0.91500622 1.0 Ba Ba8 1 0.75000000 0.50000000 0.40238495 1.0 Ba Ba9 1 0.75000000 0.00000000 0.09761505 1.0 Ba Ba10 1 0.25000000 0.50000000 0.59761505 1.0 Ba Ba11 1 0.25000000 0.00000000 0.90238495 1.0 Co Co12 1 0.75000000 0.50000000 0.73387988 1.0 Co Co13 1 0.75000000 0.00000000 0.76612012 1.0 Co Co14 1 0.25000000 0.50000000 0.26612012 1.0 Co Co15 1 0.25000000 0.00000000 0.23387988 1.0 Co Co16 1 0.64931278 0.25000000 0.75000000 1.0 Co Co17 1 0.85068722 0.75000000 0.75000000 1.0 Co Co18 1 0.35068722 0.75000000 0.25000000 1.0 Co Co19 1 0.14931278 0.25000000 0.25000000 1.0 N N20 1 0.83183994 0.35558941 0.63550724 1.0 N N21 1 0.66816006 0.64441059 0.63550724 1.0 N N22 1 0.83183994 0.14441059 0.86449276 1.0 N N23 1 0.66816006 0.85558941 0.86449276 1.0 N N24 1 0.16816006 0.64441059 0.36449276 1.0 N N25 1 0.33183994 0.35558941 0.36449276 1.0 N N26 1 0.16816006 0.85558941 0.13550724 1.0 N N27 1 0.33183994 0.14441059 0.13550724 1.0 N N28 1 0.52173892 0.40520732 0.82207879 1.0 N N29 1 0.97826108 0.59479268 0.82207879 1.0 N N30 1 0.52173892 0.09479268 0.67792121 1.0 N N31 1 0.97826108 0.90520732 0.67792121 1.0 N N32 1 0.47826108 0.59479268 0.17792121 1.0 N N33 1 0.02173892 0.40520732 0.17792121 1.0 N N34 1 0.47826108 0.90520732 0.32207879 1.0 N N35 1 0.02173892 0.09479268 0.32207879 1.0