# generated using pymatgen data_Pr21Fe8Bi7C12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.57083939 _cell_length_b 11.57083939 _cell_length_c 11.57083939 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr21Fe8Bi7C12 _chemical_formula_sum 'Pr21 Fe8 Bi7 C12' _cell_volume 1095.41730834 _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 0.36307900 0.36307900 0.36307900 1.0 Pr Pr1 1 0.34239300 0.00000000 0.00000000 1.0 Pr Pr2 1 0.36307900 0.91076300 0.36307900 1.0 Pr Pr3 1 0.63692100 0.63692100 0.63692100 1.0 Pr Pr4 1 0.36307900 0.36307900 0.91076300 1.0 Pr Pr5 1 0.00000000 0.00000000 0.65760700 1.0 Pr Pr6 1 0.00000000 0.65760700 0.00000000 1.0 Pr Pr7 1 0.63692100 0.08923700 0.63692100 1.0 Pr Pr8 1 0.34239300 0.65760700 0.00000000 1.0 Pr Pr9 1 0.08923700 0.63692100 0.63692100 1.0 Pr Pr10 1 0.91076300 0.36307900 0.36307900 1.0 Pr Pr11 1 0.00000000 0.34239300 0.65760700 1.0 Pr Pr12 1 0.65760700 0.34239300 0.00000000 1.0 Pr Pr13 1 0.34239300 0.00000000 0.65760700 1.0 Pr Pr14 1 0.63692100 0.63692100 0.08923700 1.0 Pr Pr15 1 0.00000000 0.65760700 0.34239300 1.0 Pr Pr16 1 0.65760700 0.00000000 0.00000000 1.0 Pr Pr17 1 0.65760700 0.00000000 0.34239300 1.0 Pr Pr18 1 0.50000000 0.50000000 0.50000000 1.0 Pr Pr19 1 0.00000000 0.00000000 0.34239300 1.0 Pr Pr20 1 0.00000000 0.34239300 0.00000000 1.0 Fe Fe21 1 0.19569100 0.19569100 0.19569100 1.0 Fe Fe22 1 0.41292600 0.19569100 0.19569100 1.0 Fe Fe23 1 0.80430900 0.80430900 0.58707400 1.0 Fe Fe24 1 0.19569100 0.41292600 0.19569100 1.0 Fe Fe25 1 0.19569100 0.19569100 0.41292600 1.0 Fe Fe26 1 0.80430900 0.58707400 0.80430900 1.0 Fe Fe27 1 0.58707400 0.80430900 0.80430900 1.0 Fe Fe28 1 0.80430900 0.80430900 0.80430900 1.0 Bi Bi29 1 0.71045200 0.28954800 0.28954800 1.0 Bi Bi30 1 0.28954800 0.28954800 0.71045200 1.0 Bi Bi31 1 0.28954800 0.71045200 0.71045200 1.0 Bi Bi32 1 0.71045200 0.28954800 0.71045200 1.0 Bi Bi33 1 0.28954800 0.71045200 0.28954800 1.0 Bi Bi34 1 0.00000000 0.00000000 0.00000000 1.0 Bi Bi35 1 0.71045200 0.71045200 0.28954800 1.0 C C36 1 0.39125300 0.39125300 0.10874700 1.0 C C37 1 0.60874700 0.60874700 0.89125300 1.0 C C38 1 0.39125300 0.10874700 0.10874700 1.0 C C39 1 0.10874700 0.39125300 0.10874700 1.0 C C40 1 0.89125300 0.89125300 0.60874700 1.0 C C41 1 0.89125300 0.60874700 0.89125300 1.0 C C42 1 0.10874700 0.10874700 0.39125300 1.0 C C43 1 0.39125300 0.10874700 0.39125300 1.0 C C44 1 0.60874700 0.89125300 0.89125300 1.0 C C45 1 0.60874700 0.89125300 0.60874700 1.0 C C46 1 0.10874700 0.39125300 0.39125300 1.0 C C47 1 0.89125300 0.60874700 0.60874700 1.0