# generated using pymatgen data_Ba2(B2Pt3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19471204 _cell_length_b 8.19471250 _cell_length_c 8.19471256 _cell_angle_alpha 82.79361311 _cell_angle_beta 82.79361018 _cell_angle_gamma 82.79361254 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2(B2Pt3)3 _chemical_formula_sum 'Ba4 B12 Pt18' _cell_volume 538.26730777 _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 Ba Ba0 1 0.63262381 0.63262381 0.63262381 1.0 Ba Ba1 1 0.86737619 0.86737619 0.86737619 1.0 Ba Ba2 1 0.36737619 0.36737619 0.36737619 1.0 Ba Ba3 1 0.13262381 0.13262381 0.13262381 1.0 B B4 1 0.52963964 0.19043782 0.85442339 1.0 B B5 1 0.85442339 0.52963964 0.19043782 1.0 B B6 1 0.19043782 0.85442339 0.52963964 1.0 B B7 1 0.97036036 0.64557661 0.30956218 1.0 B B8 1 0.47036036 0.80956218 0.14557661 1.0 B B9 1 0.14557661 0.47036036 0.80956218 1.0 B B10 1 0.80956218 0.14557661 0.47036036 1.0 B B11 1 0.02963964 0.35442339 0.69043782 1.0 B B12 1 0.69043782 0.02963964 0.35442339 1.0 B B13 1 0.35442339 0.69043782 0.02963964 1.0 B B14 1 0.30956218 0.97036036 0.64557661 1.0 B B15 1 0.64557661 0.30956218 0.97036036 1.0 Pt Pt16 1 0.42782377 0.92356439 0.39697934 1.0 Pt Pt17 1 0.07217623 0.10302066 0.57643561 1.0 Pt Pt18 1 0.92356439 0.39697934 0.42782377 1.0 Pt Pt19 1 0.57643561 0.07217623 0.10302066 1.0 Pt Pt20 1 0.60302066 0.57217623 0.07643561 1.0 Pt Pt21 1 0.57217623 0.07643561 0.60302066 1.0 Pt Pt22 1 0.07643561 0.60302066 0.57217623 1.0 Pt Pt23 1 0.92782377 0.89697934 0.42356439 1.0 Pt Pt24 1 0.89697934 0.42356439 0.92782377 1.0 Pt Pt25 1 0.42356439 0.92782377 0.89697934 1.0 Pt Pt26 1 0.75000000 0.27330336 0.22669664 1.0 Pt Pt27 1 0.22669664 0.75000000 0.27330336 1.0 Pt Pt28 1 0.27330336 0.22669664 0.75000000 1.0 Pt Pt29 1 0.25000000 0.72669664 0.77330336 1.0 Pt Pt30 1 0.77330336 0.25000000 0.72669664 1.0 Pt Pt31 1 0.72669664 0.77330336 0.25000000 1.0 Pt Pt32 1 0.10302066 0.57643561 0.07217623 1.0 Pt Pt33 1 0.39697934 0.42782377 0.92356439 1.0