# generated using pymatgen data_Sm3Ti(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92839418 _cell_length_b 11.18159482 _cell_length_c 12.83950107 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ti(P3Rh4)2 _chemical_formula_sum 'Sm6 Ti2 P12 Rh16' _cell_volume 563.98422604 _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 Sm Sm0 1 0.00000000 0.50000000 0.51926314 1.0 Sm Sm1 1 0.50000000 0.00000000 0.48073686 1.0 Sm Sm2 1 0.50000000 0.81837375 0.20222167 1.0 Sm Sm3 1 0.50000000 0.18162625 0.20222167 1.0 Sm Sm4 1 0.00000000 0.68162625 0.79777833 1.0 Sm Sm5 1 0.00000000 0.31837375 0.79777833 1.0 Ti Ti6 1 0.50000000 0.50000000 0.15522350 1.0 Ti Ti7 1 0.00000000 0.00000000 0.84477650 1.0 P P8 1 0.50000000 0.50000000 0.87994120 1.0 P P9 1 0.00000000 0.00000000 0.12005880 1.0 P P10 1 0.50000000 0.50000000 0.34737685 1.0 P P11 1 0.00000000 0.00000000 0.65262315 1.0 P P12 1 0.50000000 0.31142778 0.61626889 1.0 P P13 1 0.50000000 0.68857222 0.61626889 1.0 P P14 1 0.00000000 0.18857222 0.38373111 1.0 P P15 1 0.00000000 0.81142778 0.38373111 1.0 P P16 1 0.50000000 0.84602254 0.88970805 1.0 P P17 1 0.50000000 0.15397746 0.88970805 1.0 P P18 1 0.00000000 0.65397746 0.11029195 1.0 P P19 1 0.00000000 0.34602254 0.11029195 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69947608 1.0 Rh Rh21 1 0.00000000 0.00000000 0.30052392 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98791745 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01208255 1.0 Rh Rh24 1 0.50000000 0.33218247 0.99021205 1.0 Rh Rh25 1 0.50000000 0.66781753 0.99021205 1.0 Rh Rh26 1 0.00000000 0.16781753 0.00978795 1.0 Rh Rh27 1 0.00000000 0.83218247 0.00978795 1.0 Rh Rh28 1 0.50000000 0.29161416 0.43117493 1.0 Rh Rh29 1 0.50000000 0.70838584 0.43117493 1.0 Rh Rh30 1 0.00000000 0.20838584 0.56882507 1.0 Rh Rh31 1 0.00000000 0.79161416 0.56882507 1.0 Rh Rh32 1 0.50000000 0.87546818 0.70844846 1.0 Rh Rh33 1 0.50000000 0.12453182 0.70844846 1.0 Rh Rh34 1 0.00000000 0.62453182 0.29155154 1.0 Rh Rh35 1 0.00000000 0.37546818 0.29155154 1.0