# generated using pymatgen data_KBa3(B2Pt3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17042611 _cell_length_b 8.17033434 _cell_length_c 8.17048960 _cell_angle_alpha 82.65513561 _cell_angle_beta 82.65545077 _cell_angle_gamma 82.65540174 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa3(B2Pt3)6 _chemical_formula_sum 'K1 Ba3 B12 Pt18' _cell_volume 533.05078756 _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 K K0 1 0.62950290 0.62950647 0.62951098 1.0 Ba Ba1 1 0.85854875 0.85854702 0.85855637 1.0 Ba Ba2 1 0.37668979 0.37667993 0.37667678 1.0 Ba Ba3 1 0.13285122 0.13284977 0.13284688 1.0 B B4 1 0.53706321 0.19021060 0.84691300 1.0 B B5 1 0.84691628 0.53706260 0.19020541 1.0 B B6 1 0.19021045 0.84691439 0.53706268 1.0 B B7 1 0.96261126 0.65358605 0.31057276 1.0 B B8 1 0.46471582 0.80912100 0.15278545 1.0 B B9 1 0.15278661 0.46471854 0.80913193 1.0 B B10 1 0.80911946 0.15279016 0.46471933 1.0 B B11 1 0.03565411 0.34823087 0.68924812 1.0 B B12 1 0.68923282 0.03565476 0.34823659 1.0 B B13 1 0.34823643 0.68923403 0.03565418 1.0 B B14 1 0.31058297 0.96261500 0.65358962 1.0 B B15 1 0.65359037 0.31058718 0.96261583 1.0 Pt Pt16 1 0.42203862 0.92774837 0.39964270 1.0 Pt Pt17 1 0.07871274 0.10194596 0.57149283 1.0 Pt Pt18 1 0.92774679 0.39964472 0.42204745 1.0 Pt Pt19 1 0.57147872 0.07873261 0.10195246 1.0 Pt Pt20 1 0.60265047 0.57707194 0.07159173 1.0 Pt Pt21 1 0.57707545 0.07159742 0.60263996 1.0 Pt Pt22 1 0.07159572 0.60262354 0.57707475 1.0 Pt Pt23 1 0.92224875 0.89894063 0.42702393 1.0 Pt Pt24 1 0.89894340 0.42702599 0.92224429 1.0 Pt Pt25 1 0.42702810 0.92224961 0.89893967 1.0 Pt Pt26 1 0.75098185 0.27801333 0.22131173 1.0 Pt Pt27 1 0.22131656 0.75097258 0.27801880 1.0 Pt Pt28 1 0.27800537 0.22132577 0.75096931 1.0 Pt Pt29 1 0.25105912 0.72031143 0.77888192 1.0 Pt Pt30 1 0.77889448 0.25105163 0.72031783 1.0 Pt Pt31 1 0.72031292 0.77889471 0.25104953 1.0 Pt Pt32 1 0.10195561 0.57149004 0.07871691 1.0 Pt Pt33 1 0.39963990 0.42204832 0.92775526 1.0