# generated using pymatgen data_Ca4NdSi12Rh19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.71912105 _cell_length_b 12.71912002 _cell_length_c 3.98242720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000014 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4NdSi12Rh19 _chemical_formula_sum 'Ca4 Nd1 Si12 Rh19' _cell_volume 557.94660962 _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 0.99950276 0.18473716 0.50000000 1.0 Ca Ca1 1 0.81526284 0.81476559 0.50000000 1.0 Ca Ca2 1 0.18523441 0.00049724 0.50000000 1.0 Ca Ca3 1 0.33333300 0.66666700 0.00000000 1.0 Nd Nd4 1 0.66666700 0.33333300 0.00000000 1.0 Si Si5 1 0.47294449 0.31291651 0.50000000 1.0 Si Si6 1 0.81578938 0.99856719 0.00000000 1.0 Si Si7 1 0.18277881 0.18421062 0.00000000 1.0 Si Si8 1 0.00143281 0.81722119 0.00000000 1.0 Si Si9 1 0.37312851 0.99884277 0.00000000 1.0 Si Si10 1 0.68708349 0.16002798 0.50000000 1.0 Si Si11 1 0.83997202 0.52705551 0.50000000 1.0 Si Si12 1 0.52408028 0.83664811 0.50000000 1.0 Si Si13 1 0.16335189 0.68743217 0.50000000 1.0 Si Si14 1 0.31256783 0.47591972 0.50000000 1.0 Si Si15 1 0.00115723 0.37428574 0.00000000 1.0 Si Si16 1 0.62571426 0.62687149 0.00000000 1.0 Rh Rh17 1 0.80777410 0.18354021 0.00000000 1.0 Rh Rh18 1 0.37576610 0.19222590 0.00000000 1.0 Rh Rh19 1 0.63998350 0.51345454 0.50000000 1.0 Rh Rh20 1 0.87347104 0.36001650 0.50000000 1.0 Rh Rh21 1 0.36118335 0.87461145 0.50000000 1.0 Rh Rh22 1 0.51342810 0.63881665 0.50000000 1.0 Rh Rh23 1 0.12538855 0.48657190 0.50000000 1.0 Rh Rh24 1 0.81645979 0.62423390 0.00000000 1.0 Rh Rh25 1 0.62132468 0.81579500 0.00000000 1.0 Rh Rh26 1 0.18420500 0.80553068 0.00000000 1.0 Rh Rh27 1 0.19446932 0.37867532 0.00000000 1.0 Rh Rh28 1 0.00136528 0.72281548 0.50000000 1.0 Rh Rh29 1 0.27718452 0.27854980 0.50000000 1.0 Rh Rh30 1 0.72145020 0.99863472 0.50000000 1.0 Rh Rh31 1 0.99720434 0.55402844 0.00000000 1.0 Rh Rh32 1 0.44597156 0.44317590 0.00000000 1.0 Rh Rh33 1 0.55682410 0.00279566 0.00000000 1.0 Rh Rh34 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh35 1 0.48654546 0.12652896 0.50000000 1.0