# generated using pymatgen data_Ba4Nd7Si12BN27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.33682711 _cell_length_b 12.33682711 _cell_length_c 5.47572900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000595 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Nd7Si12BN27 _chemical_formula_sum 'Ba4 Nd7 Si12 B1 N27' _cell_volume 721.73789555 _cell_formula_units_Z 1 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 0.92143600 0.48886300 0.50000000 1.0 Ba Ba1 1 0.51113700 0.43257300 0.50000000 1.0 Ba Ba2 1 0.33333300 0.66666700 0.50000000 1.0 Ba Ba3 1 0.56742700 0.07856400 0.50000000 1.0 Nd Nd4 1 0.78021700 0.02384400 0.00000000 1.0 Nd Nd5 1 0.67739600 0.70562600 0.00000000 1.0 Nd Nd6 1 0.02823000 0.32260400 0.00000000 1.0 Nd Nd7 1 0.00000000 0.00000000 0.50000000 1.0 Nd Nd8 1 0.97615600 0.75637300 0.00000000 1.0 Nd Nd9 1 0.24362700 0.21978300 0.00000000 1.0 Nd Nd10 1 0.29437400 0.97177000 0.00000000 1.0 Si Si11 1 0.49324700 0.79648300 0.00000000 1.0 Si Si12 1 0.75770200 0.26329700 0.00000000 1.0 Si Si13 1 0.67865900 0.87137200 0.50000000 1.0 Si Si14 1 0.87547600 0.18601700 0.50000000 1.0 Si Si15 1 0.81398300 0.68945900 0.50000000 1.0 Si Si16 1 0.73670300 0.49440500 0.00000000 1.0 Si Si17 1 0.19271300 0.32134100 0.50000000 1.0 Si Si18 1 0.30323700 0.50675300 0.00000000 1.0 Si Si19 1 0.12862800 0.80728700 0.50000000 1.0 Si Si20 1 0.31054100 0.12452400 0.50000000 1.0 Si Si21 1 0.20351700 0.69676300 0.00000000 1.0 Si Si22 1 0.50559500 0.24229800 0.00000000 1.0 B B23 1 0.00000000 0.00000000 0.00000000 1.0 N N24 1 0.24762000 0.96283900 0.50000000 1.0 N N25 1 0.13397800 0.72745700 0.24568500 1.0 N N26 1 0.13397800 0.72745700 0.75431500 1.0 N N27 1 0.03716100 0.28478100 0.50000000 1.0 N N28 1 0.18704800 0.55022600 0.00000000 1.0 N N29 1 0.87354200 0.88896500 0.00000000 1.0 N N30 1 0.01542300 0.12645800 0.00000000 1.0 N N31 1 0.36317800 0.81295200 0.00000000 1.0 N N32 1 0.27254300 0.40652100 0.24568500 1.0 N N33 1 0.27254300 0.40652100 0.75431500 1.0 N N34 1 0.20593300 0.18359800 0.50000000 1.0 N N35 1 0.11103500 0.98457700 0.00000000 1.0 N N36 1 0.44977400 0.63682200 0.00000000 1.0 N N37 1 0.59347900 0.86602200 0.75431500 1.0 N N38 1 0.59347900 0.86602200 0.24568500 1.0 N N39 1 0.40019400 0.17963000 0.24119000 1.0 N N40 1 0.40019400 0.17963000 0.75881000 1.0 N N41 1 0.71521900 0.75238000 0.50000000 1.0 N N42 1 0.57675800 0.40218400 0.00000000 1.0 N N43 1 0.77943600 0.59980600 0.24119000 1.0 N N44 1 0.77943600 0.59980600 0.75881000 1.0 N N45 1 0.59781600 0.17457400 0.00000000 1.0 N N46 1 0.97766400 0.79406700 0.50000000 1.0 N N47 1 0.82542600 0.42324200 0.00000000 1.0 N N48 1 0.82037000 0.22056400 0.75881000 1.0 N N49 1 0.82037000 0.22056400 0.24119000 1.0 N N50 1 0.81640200 0.02233600 0.50000000 1.0