# generated using pymatgen data_Ba4Sm7Si12BN27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.26139563 _cell_length_b 12.26139563 _cell_length_c 5.45814400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999803 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Sm7Si12BN27 _chemical_formula_sum 'Ba4 Sm7 Si12 B1 N27' _cell_volume 710.64947810 _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 0.92303900 0.48848300 0.50000000 1.0 Ba Ba1 1 0.51151700 0.43455600 0.50000000 1.0 Ba Ba2 1 0.33333300 0.66666700 0.50000000 1.0 Ba Ba3 1 0.56544400 0.07696100 0.50000000 1.0 Sm Sm4 1 0.78156600 0.02392300 0.00000000 1.0 Sm Sm5 1 0.67875100 0.70627500 0.00000000 1.0 Sm Sm6 1 0.02752400 0.32124900 0.00000000 1.0 Sm Sm7 1 0.00000000 0.00000000 0.50000000 1.0 Sm Sm8 1 0.97607700 0.75764300 0.00000000 1.0 Sm Sm9 1 0.24235700 0.21843400 0.00000000 1.0 Sm Sm10 1 0.29372500 0.97247600 0.00000000 1.0 Si Si11 1 0.49396700 0.79878000 0.00000000 1.0 Si Si12 1 0.75751900 0.26254200 0.00000000 1.0 Si Si13 1 0.67924600 0.87267100 0.50000000 1.0 Si Si14 1 0.87698300 0.18629900 0.50000000 1.0 Si Si15 1 0.81370100 0.69068400 0.50000000 1.0 Si Si16 1 0.73745800 0.49497600 0.00000000 1.0 Si Si17 1 0.19342500 0.32075400 0.50000000 1.0 Si Si18 1 0.30481400 0.50603300 0.00000000 1.0 Si Si19 1 0.12732900 0.80657500 0.50000000 1.0 Si Si20 1 0.30931600 0.12301700 0.50000000 1.0 Si Si21 1 0.20122000 0.69518600 0.00000000 1.0 Si Si22 1 0.50502400 0.24248100 0.00000000 1.0 B B23 1 0.00000000 0.00000000 0.00000000 1.0 N N24 1 0.12961600 0.72478700 0.24509700 1.0 N N25 1 0.12961600 0.72478700 0.75490300 1.0 N N26 1 0.25021800 0.96130100 0.50000000 1.0 N N27 1 0.03869900 0.28891700 0.50000000 1.0 N N28 1 0.18641900 0.54807200 0.00000000 1.0 N N29 1 0.87261600 0.88837600 0.00000000 1.0 N N30 1 0.01576100 0.12738400 0.00000000 1.0 N N31 1 0.36165300 0.81358100 0.00000000 1.0 N N32 1 0.27521300 0.40482900 0.75490300 1.0 N N33 1 0.27521300 0.40482900 0.24509700 1.0 N N34 1 0.20283500 0.18044600 0.50000000 1.0 N N35 1 0.11162400 0.98423900 0.00000000 1.0 N N36 1 0.45192800 0.63834700 0.00000000 1.0 N N37 1 0.59517100 0.87038400 0.75490300 1.0 N N38 1 0.59517100 0.87038400 0.24509700 1.0 N N39 1 0.39796900 0.17871900 0.23971300 1.0 N N40 1 0.39796900 0.17871900 0.76028700 1.0 N N41 1 0.71108300 0.74978200 0.50000000 1.0 N N42 1 0.57636500 0.40300300 0.00000000 1.0 N N43 1 0.78075000 0.60203100 0.23971300 1.0 N N44 1 0.78075000 0.60203100 0.76028700 1.0 N N45 1 0.59699700 0.17336200 0.00000000 1.0 N N46 1 0.97761000 0.79716500 0.50000000 1.0 N N47 1 0.82663800 0.42363500 0.00000000 1.0 N N48 1 0.82128100 0.21925000 0.76028700 1.0 N N49 1 0.82128100 0.21925000 0.23971300 1.0 N N50 1 0.81955400 0.02239000 0.50000000 1.0