# generated using pymatgen data_Sr(Th2B15)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12015205 _cell_length_b 4.12015205 _cell_length_c 20.61788422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr(Th2B15)2 _chemical_formula_sum 'Sr1 Th4 B30' _cell_volume 350.00204555 _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 Sr Sr0 1 0.00000000 0.00000000 0.00000000 1.0 Th Th1 1 0.00000000 0.00000000 0.20360357 1.0 Th Th2 1 0.00000000 0.00000000 0.40071460 1.0 Th Th3 1 0.00000000 0.00000000 0.59928540 1.0 Th Th4 1 0.00000000 0.00000000 0.79639643 1.0 B B5 1 0.50000000 0.50000000 0.16167747 1.0 B B6 1 0.50000000 0.50000000 0.36133968 1.0 B B7 1 0.50000000 0.50000000 0.56015009 1.0 B B8 1 0.50000000 0.50000000 0.75938663 1.0 B B9 1 0.50000000 0.50000000 0.95918023 1.0 B B10 1 0.50000000 0.19961518 0.10162839 1.0 B B11 1 0.50000000 0.19754232 0.30110311 1.0 B B12 1 0.50000000 0.19751728 0.50000000 1.0 B B13 1 0.50000000 0.19754232 0.69889689 1.0 B B14 1 0.50000000 0.19961518 0.89837161 1.0 B B15 1 0.19961518 0.50000000 0.10162839 1.0 B B16 1 0.19754232 0.50000000 0.30110311 1.0 B B17 1 0.19751728 0.50000000 0.50000000 1.0 B B18 1 0.19754232 0.50000000 0.69889689 1.0 B B19 1 0.19961518 0.50000000 0.89837161 1.0 B B20 1 0.50000000 0.50000000 0.04081977 1.0 B B21 1 0.50000000 0.50000000 0.24061337 1.0 B B22 1 0.50000000 0.50000000 0.43984991 1.0 B B23 1 0.50000000 0.50000000 0.63866032 1.0 B B24 1 0.50000000 0.50000000 0.83832253 1.0 B B25 1 0.50000000 0.80038482 0.10162839 1.0 B B26 1 0.50000000 0.80245768 0.30110311 1.0 B B27 1 0.50000000 0.80248272 0.50000000 1.0 B B28 1 0.50000000 0.80245768 0.69889689 1.0 B B29 1 0.50000000 0.80038482 0.89837161 1.0 B B30 1 0.80038482 0.50000000 0.10162839 1.0 B B31 1 0.80245768 0.50000000 0.30110311 1.0 B B32 1 0.80248272 0.50000000 0.50000000 1.0 B B33 1 0.80245768 0.50000000 0.69889689 1.0 B B34 1 0.80038482 0.50000000 0.89837161 1.0