# generated using pymatgen data_Ca3InAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63466067 _cell_length_b 9.08647600 _cell_length_c 16.96376846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3InAg3 _chemical_formula_sum 'Ca12 In4 Ag12' _cell_volume 714.39065005 _cell_formula_units_Z 4 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 0.02582858 0.84177102 1.0 Ca Ca1 1 0.75000000 0.47417142 0.34177102 1.0 Ca Ca2 1 0.25000000 0.97417142 0.15822898 1.0 Ca Ca3 1 0.75000000 0.24895035 0.55864933 1.0 Ca Ca4 1 0.25000000 0.74895035 0.94135067 1.0 Ca Ca5 1 0.75000000 0.25104965 0.05864933 1.0 Ca Ca6 1 0.25000000 0.12879944 0.36468395 1.0 Ca Ca7 1 0.25000000 0.75104965 0.44135067 1.0 Ca Ca8 1 0.75000000 0.87120056 0.63531605 1.0 Ca Ca9 1 0.75000000 0.62879944 0.13531605 1.0 Ca Ca10 1 0.25000000 0.37120056 0.86468395 1.0 Ca Ca11 1 0.25000000 0.52582858 0.65822898 1.0 In In12 1 0.75000000 0.63747940 0.79377168 1.0 In In13 1 0.25000000 0.36252060 0.20622832 1.0 In In14 1 0.25000000 0.13747940 0.70622832 1.0 In In15 1 0.75000000 0.86252060 0.29377168 1.0 Ag Ag16 1 0.75000000 0.17469271 0.23875364 1.0 Ag Ag17 1 0.25000000 0.46599041 0.04485227 1.0 Ag Ag18 1 0.75000000 0.32530729 0.73875364 1.0 Ag Ag19 1 0.25000000 0.08079902 0.97399208 1.0 Ag Ag20 1 0.25000000 0.03400959 0.54485227 1.0 Ag Ag21 1 0.25000000 0.82530729 0.76124636 1.0 Ag Ag22 1 0.75000000 0.53400959 0.95514773 1.0 Ag Ag23 1 0.75000000 0.58079902 0.52600792 1.0 Ag Ag24 1 0.75000000 0.96599041 0.45514773 1.0 Ag Ag25 1 0.25000000 0.67469271 0.26124636 1.0 Ag Ag26 1 0.25000000 0.41920098 0.47399208 1.0 Ag Ag27 1 0.75000000 0.91920098 0.02600792 1.0