# generated using pymatgen data_CsBa(B2Pt3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19614799 _cell_length_b 8.19627503 _cell_length_c 8.19614788 _cell_angle_alpha 83.08289717 _cell_angle_beta 83.08516997 _cell_angle_gamma 83.08289612 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsBa(B2Pt3)3 _chemical_formula_sum 'Cs2 Ba2 B12 Pt18' _cell_volume 539.47252448 _cell_formula_units_Z 2 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 Cs Cs0 1 0.63278716 0.63278351 0.63282421 1.0 Cs Cs1 1 0.86717579 0.86721649 0.86721284 1.0 Ba Ba2 1 0.37439327 0.37435588 0.37437119 1.0 Ba Ba3 1 0.12562881 0.12564412 0.12560673 1.0 B B4 1 0.53921158 0.19037660 0.84257015 1.0 B B5 1 0.84254413 0.53922207 0.19035376 1.0 B B6 1 0.19037696 0.84255967 0.53923143 1.0 B B7 1 0.96076857 0.65744033 0.30962304 1.0 B B8 1 0.46628998 0.80957730 0.14888986 1.0 B B9 1 0.14891844 0.46622682 0.80958614 1.0 B B10 1 0.80955651 0.14891962 0.46624096 1.0 B B11 1 0.03375904 0.35108038 0.69044349 1.0 B B12 1 0.69041386 0.03377318 0.35108156 1.0 B B13 1 0.35111014 0.69042270 0.03371002 1.0 B B14 1 0.30964624 0.96077793 0.65745587 1.0 B B15 1 0.65742985 0.30962340 0.96078842 1.0 Pt Pt16 1 0.41433760 0.93658656 0.39909917 1.0 Pt Pt17 1 0.08565018 0.10092209 0.56345676 1.0 Pt Pt18 1 0.93654324 0.39907791 0.41434982 1.0 Pt Pt19 1 0.56344135 0.08568910 0.10090885 1.0 Pt Pt20 1 0.60184827 0.57133289 0.07942142 1.0 Pt Pt21 1 0.57134460 0.07944499 0.60185957 1.0 Pt Pt22 1 0.07945873 0.60185894 0.57133725 1.0 Pt Pt23 1 0.92866275 0.89814106 0.42054127 1.0 Pt Pt24 1 0.89814043 0.42055501 0.92865540 1.0 Pt Pt25 1 0.42057858 0.92866711 0.89815173 1.0 Pt Pt26 1 0.74999573 0.27406798 0.22593373 1.0 Pt Pt27 1 0.22597083 0.75000000 0.27402917 1.0 Pt Pt28 1 0.27406627 0.22593202 0.75000427 1.0 Pt Pt29 1 0.25002294 0.71430720 0.78569513 1.0 Pt Pt30 1 0.78563132 0.25000000 0.71436868 1.0 Pt Pt31 1 0.71430487 0.78569280 0.24997706 1.0 Pt Pt32 1 0.10090083 0.56341344 0.08566240 1.0 Pt Pt33 1 0.39909115 0.41431090 0.93655865 1.0