# generated using pymatgen data_Ca17(Y7S19)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91418257 _cell_length_b 6.91418257 _cell_length_c 65.17636040 _cell_angle_alpha 85.84885152 _cell_angle_beta 85.84885152 _cell_angle_gamma 33.75851670 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca17(Y7S19)2 _chemical_formula_sum 'Ca17 Y14 S38' _cell_volume 1726.47851038 _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 Ca Ca0 1 0.00465700 0.00465700 0.99991300 1.0 Ca Ca1 1 0.78973500 0.78973500 0.57876100 1.0 Ca Ca2 1 0.26323600 0.26323600 0.52606100 1.0 Ca Ca3 1 0.47418300 0.47418300 0.44749600 1.0 Ca Ca4 1 0.94756800 0.94756800 0.39460300 1.0 Ca Ca5 1 0.42023800 0.42023800 0.34242500 1.0 Ca Ca6 1 0.63135300 0.63135300 0.26247700 1.0 Ca Ca7 1 0.89552100 0.89552100 0.28930900 1.0 Ca Ca8 1 0.10546300 0.10546300 0.20974800 1.0 Ca Ca9 1 0.36877500 0.36877500 0.23612800 1.0 Ca Ca10 1 0.57917200 0.57917200 0.15708500 1.0 Ca Ca11 1 0.84231600 0.84231600 0.18340700 1.0 Ca Ca12 1 0.05297500 0.05297500 0.10451200 1.0 Ca Ca13 1 0.31604200 0.31604200 0.13081400 1.0 Ca Ca14 1 0.52670200 0.52670200 0.05206200 1.0 Ca Ca15 1 0.78960900 0.78960900 0.07823700 1.0 Ca Ca16 1 0.26239200 0.26239200 0.02461000 1.0 Y Y17 1 0.47331200 0.47331200 0.94764500 1.0 Y Y18 1 0.94777000 0.94777000 0.89473700 1.0 Y Y19 1 0.89468200 0.89468200 0.78945600 1.0 Y Y20 1 0.42105900 0.42105900 0.84215000 1.0 Y Y21 1 0.36895100 0.36895100 0.73652200 1.0 Y Y22 1 0.31138000 0.31138000 0.63517500 1.0 Y Y23 1 0.84094600 0.84094600 0.68647600 1.0 Y Y24 1 0.05171700 0.05171700 0.60727500 1.0 Y Y25 1 0.52774500 0.52774500 0.55149900 1.0 Y Y26 1 0.73523900 0.73523900 0.47423500 1.0 Y Y27 1 0.00094600 0.00094600 0.49977600 1.0 Y Y28 1 0.20994300 0.20994300 0.42104800 1.0 Y Y29 1 0.15814200 0.15814200 0.31655600 1.0 Y Y30 1 0.68431500 0.68431500 0.36858200 1.0 S S31 1 0.37665700 0.37665700 0.98576900 1.0 S S32 1 0.85675400 0.85675400 0.93369500 1.0 S S33 1 0.09194600 0.09194600 0.95958800 1.0 S S34 1 0.33091200 0.33091200 0.88123500 1.0 S S35 1 0.56359700 0.56359700 0.90830600 1.0 S S36 1 0.80456000 0.80456000 0.82851800 1.0 S S37 1 0.03774400 0.03774400 0.85570600 1.0 S S38 1 0.27861200 0.27861200 0.77582900 1.0 S S39 1 0.51160600 0.51160600 0.80321600 1.0 S S40 1 0.75052800 0.75052800 0.72347100 1.0 S S41 1 0.98445800 0.98445800 0.75067900 1.0 S S42 1 0.22378100 0.22378100 0.66933700 1.0 S S43 1 0.45881300 0.45881300 0.69726800 1.0 S S44 1 0.68417000 0.68417000 0.61668600 1.0 S S45 1 0.94182100 0.94182100 0.64164700 1.0 S S46 1 0.15341300 0.15341300 0.56585300 1.0 S S47 1 0.42755500 0.42755500 0.59124000 1.0 S S48 1 0.63056500 0.63056500 0.51304300 1.0 S S49 1 0.89676000 0.89676000 0.53930100 1.0 S S50 1 0.10700400 0.10700400 0.46046700 1.0 S S51 1 0.36885100 0.36885100 0.48674400 1.0 S S52 1 0.58102400 0.58102400 0.40786800 1.0 S S53 1 0.83925500 0.83925500 0.43443500 1.0 S S54 1 0.05497600 0.05497600 0.35524000 1.0 S S55 1 0.31316100 0.31316100 0.38191600 1.0 S S56 1 0.52960400 0.52960400 0.30335000 1.0 S S57 1 0.78714500 0.78714500 0.32911400 1.0 S S58 1 0.99896200 0.99896200 0.25090900 1.0 S S59 1 0.26096800 0.26096800 0.27775200 1.0 S S60 1 0.47325600 0.47325600 0.19829700 1.0 S S61 1 0.73673800 0.73673800 0.22461600 1.0 S S62 1 0.94700500 0.94700500 0.14564500 1.0 S S63 1 0.21029200 0.21029200 0.17198200 1.0 S S64 1 0.42072800 0.42072800 0.09281500 1.0 S S65 1 0.68405100 0.68405100 0.11926000 1.0 S S66 1 0.89333200 0.89333200 0.03965500 1.0 S S67 1 0.15816200 0.15816200 0.06630500 1.0 S S68 1 0.62988500 0.62988500 0.01394400 1.0