# generated using pymatgen data_Ca6In2Ag5Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62942796 _cell_length_b 9.07341484 _cell_length_c 16.84568894 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6In2Ag5Au _chemical_formula_sum 'Ca12 In4 Ag10 Au2' _cell_volume 707.59845405 _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 0.75000000 0.02398063 0.84512527 1.0 Ca Ca1 1 0.75000000 0.47174135 0.34560106 1.0 Ca Ca2 1 0.25000000 0.97174135 0.15439894 1.0 Ca Ca3 1 0.75000000 0.25267553 0.55372181 1.0 Ca Ca4 1 0.25000000 0.75267553 0.94627819 1.0 Ca Ca5 1 0.75000000 0.24773568 0.05914423 1.0 Ca Ca6 1 0.25000000 0.13307607 0.36674836 1.0 Ca Ca7 1 0.25000000 0.74773568 0.44085577 1.0 Ca Ca8 1 0.75000000 0.87301526 0.63673285 1.0 Ca Ca9 1 0.75000000 0.63307607 0.13325164 1.0 Ca Ca10 1 0.25000000 0.37301526 0.86326715 1.0 Ca Ca11 1 0.25000000 0.52398063 0.65487473 1.0 In In12 1 0.75000000 0.63661069 0.79320497 1.0 In In13 1 0.25000000 0.36355513 0.20695639 1.0 In In14 1 0.25000000 0.13661069 0.70679503 1.0 In In15 1 0.75000000 0.86355513 0.29304361 1.0 Ag Ag16 1 0.75000000 0.17350173 0.23998729 1.0 Ag Ag17 1 0.25000000 0.46318571 0.04445901 1.0 Ag Ag18 1 0.75000000 0.32416702 0.73739853 1.0 Ag Ag19 1 0.25000000 0.08722180 0.97223472 1.0 Ag Ag20 1 0.25000000 0.03065194 0.54570239 1.0 Ag Ag21 1 0.25000000 0.82416702 0.76260147 1.0 Ag Ag22 1 0.75000000 0.53065194 0.95429761 1.0 Ag Ag23 1 0.75000000 0.58722180 0.52776528 1.0 Ag Ag24 1 0.75000000 0.96318571 0.45554099 1.0 Ag Ag25 1 0.25000000 0.67350173 0.26001271 1.0 Au Au26 1 0.25000000 0.41888146 0.47209906 1.0 Au Au27 1 0.75000000 0.91888146 0.02790094 1.0