# generated using pymatgen data_Tm20(HgBi3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08072765 _cell_length_b 9.27555415 _cell_length_c 11.87420863 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.89616963 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm20(HgBi3)3 _chemical_formula_sum 'Tm20 Hg3 Bi9' _cell_volume 890.00879322 _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 Tm Tm0 1 0.03492601 0.25000000 0.50808765 1.0 Tm Tm1 1 0.96427801 0.75000000 0.49176372 1.0 Tm Tm2 1 0.46280158 0.75000000 0.00751847 1.0 Tm Tm3 1 0.52324615 0.25000000 0.99098045 1.0 Tm Tm4 1 0.34831242 0.25000000 0.29230719 1.0 Tm Tm5 1 0.65419296 0.75000000 0.70656502 1.0 Tm Tm6 1 0.14450409 0.75000000 0.79236863 1.0 Tm Tm7 1 0.84695612 0.25000000 0.21490125 1.0 Tm Tm8 1 0.19419372 0.25000000 0.77972224 1.0 Tm Tm9 1 0.81833288 0.75000000 0.21287276 1.0 Tm Tm10 1 0.32108841 0.75000000 0.28725179 1.0 Tm Tm11 1 0.67802043 0.25000000 0.71024921 1.0 Tm Tm12 1 0.19348871 0.05369054 0.06237173 1.0 Tm Tm13 1 0.80935164 0.93010169 0.94191045 1.0 Tm Tm14 1 0.31262179 0.93999605 0.55876896 1.0 Tm Tm15 1 0.80935164 0.56989831 0.94191045 1.0 Tm Tm16 1 0.68682427 0.06015376 0.44364938 1.0 Tm Tm17 1 0.19348871 0.44630946 0.06237173 1.0 Tm Tm18 1 0.68682427 0.43984624 0.44364938 1.0 Tm Tm19 1 0.31262179 0.56000395 0.55876896 1.0 Hg Hg20 1 0.40544496 0.25000000 0.53723925 1.0 Hg Hg21 1 0.59180289 0.75000000 0.46166424 1.0 Hg Hg22 1 0.09171486 0.75000000 0.03900638 1.0 Bi Bi23 1 0.90971057 0.25000000 0.95704086 1.0 Bi Bi24 1 0.05720691 0.00050240 0.32271521 1.0 Bi Bi25 1 0.94231742 0.00024713 0.67660906 1.0 Bi Bi26 1 0.44389904 0.99858339 0.82304176 1.0 Bi Bi27 1 0.94231742 0.49975287 0.67660906 1.0 Bi Bi28 1 0.55952819 0.00179213 0.17616441 1.0 Bi Bi29 1 0.05720691 0.49949760 0.32271521 1.0 Bi Bi30 1 0.55952819 0.49820787 0.17616441 1.0 Bi Bi31 1 0.44389904 0.50141661 0.82304176 1.0