# generated using pymatgen data_Ca3Si2Au9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43416214 _cell_length_b 9.36775358 _cell_length_c 13.45635634 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Si2Au9 _chemical_formula_sum 'Ca6 Si4 Au18' _cell_volume 558.95198956 _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 Ca Ca0 1 0.00000000 0.99248430 0.18558454 1.0 Ca Ca1 1 0.00000000 0.00751570 0.81441546 1.0 Ca Ca2 1 0.50000000 0.50751570 0.68558454 1.0 Ca Ca3 1 0.50000000 0.49248430 0.31441546 1.0 Ca Ca4 1 0.00000000 0.00000000 0.50000000 1.0 Ca Ca5 1 0.50000000 0.50000000 0.00000000 1.0 Si Si6 1 0.00000000 0.33745679 0.18158789 1.0 Si Si7 1 0.00000000 0.66254321 0.81841211 1.0 Si Si8 1 0.50000000 0.16254321 0.68158789 1.0 Si Si9 1 0.50000000 0.83745679 0.31841211 1.0 Au Au10 1 0.00000000 0.21802993 0.00383624 1.0 Au Au11 1 0.00000000 0.78197007 0.99616376 1.0 Au Au12 1 0.50000000 0.28197007 0.50383624 1.0 Au Au13 1 0.50000000 0.71802993 0.49616376 1.0 Au Au14 1 0.00000000 0.27641719 0.35950029 1.0 Au Au15 1 0.00000000 0.72358281 0.64049971 1.0 Au Au16 1 0.50000000 0.22358281 0.85950029 1.0 Au Au17 1 0.50000000 0.77641719 0.14049971 1.0 Au Au18 1 0.00000000 0.25843469 0.63842264 1.0 Au Au19 1 0.00000000 0.74156531 0.36157736 1.0 Au Au20 1 0.50000000 0.24156531 0.13842264 1.0 Au Au21 1 0.50000000 0.75843469 0.86157736 1.0 Au Au22 1 0.00000000 0.58988457 0.15750811 1.0 Au Au23 1 0.00000000 0.41011543 0.84249189 1.0 Au Au24 1 0.50000000 0.91011543 0.65750811 1.0 Au Au25 1 0.50000000 0.08988457 0.34249189 1.0 Au Au26 1 0.50000000 0.00000000 0.00000000 1.0 Au Au27 1 0.00000000 0.50000000 0.50000000 1.0