# generated using pymatgen data_PrSm11(Si7Br3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04750136 _cell_length_b 11.54316357 _cell_length_c 16.36411527 _cell_angle_alpha 90.22460991 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrSm11(Si7Br3)2 _chemical_formula_sum 'Pr1 Sm11 Si14 Br6' _cell_volume 764.54146837 _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 Pr Pr0 1 0.00000000 0.93771832 0.37981468 1.0 Sm Sm1 1 0.50000000 0.34395377 0.50002564 1.0 Sm Sm2 1 0.00000000 0.65668840 0.00034215 1.0 Sm Sm3 1 0.50000000 0.35877007 0.75724997 1.0 Sm Sm4 1 0.00000000 0.64062918 0.74341657 1.0 Sm Sm5 1 0.50000000 0.35998029 0.24190967 1.0 Sm Sm6 1 0.00000000 0.64037115 0.25755185 1.0 Sm Sm7 1 0.50000000 0.06446606 0.88035814 1.0 Sm Sm8 1 0.00000000 0.93478881 0.62043013 1.0 Sm Sm9 1 0.50000000 0.06495305 0.11845525 1.0 Sm Sm10 1 0.50000000 0.35651120 0.99971889 1.0 Sm Sm11 1 0.00000000 0.64244696 0.50068086 1.0 Si Si12 1 0.00000000 0.14928837 0.99942577 1.0 Si Si13 1 0.50000000 0.84895705 0.50136511 1.0 Si Si14 1 0.50000000 0.56909958 0.87639296 1.0 Si Si15 1 0.00000000 0.43039277 0.62432542 1.0 Si Si16 1 0.50000000 0.56965553 0.12377279 1.0 Si Si17 1 0.00000000 0.43014211 0.37598527 1.0 Si Si18 1 0.00000000 0.25208345 0.87264564 1.0 Si Si19 1 0.50000000 0.74704323 0.62802622 1.0 Si Si20 1 0.00000000 0.25264115 0.12638691 1.0 Si Si21 1 0.50000000 0.74574098 0.37391290 1.0 Si Si22 1 0.00000000 0.45844199 0.87658803 1.0 Si Si23 1 0.50000000 0.54094589 0.62400621 1.0 Si Si24 1 0.50000000 0.54058248 0.37679124 1.0 Si Si25 1 0.00000000 0.45893237 0.12303585 1.0 Br Br26 1 0.50000000 0.10760221 0.69302183 1.0 Br Br27 1 0.00000000 0.89164484 0.80754387 1.0 Br Br28 1 0.00000000 0.14189228 0.50253958 1.0 Br Br29 1 0.50000000 0.85986016 0.99905962 1.0 Br Br30 1 0.50000000 0.11309244 0.30528201 1.0 Br Br31 1 0.00000000 0.89068289 0.18994096 1.0