# generated using pymatgen data_Ba9Sr(Si2Pb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64602682 _cell_length_b 8.64602682 _cell_length_c 17.17824206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba9Sr(Si2Pb)2 _chemical_formula_sum 'Ba18 Sr2 Si8 Pb4' _cell_volume 1284.13852496 _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 0.31109822 0.67488345 0.11500163 1.0 Ba Ba1 1 0.17488345 0.18890178 0.11500163 1.0 Ba Ba2 1 0.32773858 0.69050357 0.38483409 1.0 Ba Ba3 1 0.67226142 0.69050357 0.88483409 1.0 Ba Ba4 1 0.19050357 0.17226142 0.38483409 1.0 Ba Ba5 1 0.67226142 0.30949643 0.38483409 1.0 Ba Ba6 1 0.17488345 0.81109822 0.61500163 1.0 Ba Ba7 1 0.32773858 0.30949643 0.88483409 1.0 Ba Ba8 1 0.19050357 0.82773858 0.88483409 1.0 Ba Ba9 1 0.82511655 0.18890178 0.61500163 1.0 Ba Ba10 1 0.31109822 0.32511655 0.61500163 1.0 Ba Ba11 1 0.80949643 0.82773858 0.38483409 1.0 Ba Ba12 1 0.80949643 0.17226142 0.88483409 1.0 Ba Ba13 1 0.82511655 0.81109822 0.11500163 1.0 Ba Ba14 1 0.00000000 0.50000000 0.26759573 1.0 Ba Ba15 1 0.00000000 0.50000000 0.76759573 1.0 Ba Ba16 1 0.68890178 0.32511655 0.11500163 1.0 Ba Ba17 1 0.68890178 0.67488345 0.61500163 1.0 Sr Sr18 1 0.50000000 0.00000000 0.73414736 1.0 Sr Sr19 1 0.50000000 0.00000000 0.23414736 1.0 Si Si20 1 0.10487461 0.09981532 0.74951096 1.0 Si Si21 1 0.40018468 0.60487461 0.74951096 1.0 Si Si22 1 0.59981532 0.60487461 0.24951096 1.0 Si Si23 1 0.10487461 0.90018468 0.24951096 1.0 Si Si24 1 0.59981532 0.39512539 0.74951096 1.0 Si Si25 1 0.89512539 0.90018468 0.74951096 1.0 Si Si26 1 0.40018468 0.39512539 0.24951096 1.0 Si Si27 1 0.89512539 0.09981532 0.24951096 1.0 Pb Pb28 1 0.00000000 0.50000000 0.99182207 1.0 Pb Pb29 1 0.50000000 0.00000000 0.00904911 1.0 Pb Pb30 1 0.50000000 0.00000000 0.50904911 1.0 Pb Pb31 1 0.00000000 0.50000000 0.49182207 1.0