# generated using pymatgen data_Lu12Si12TcRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13422855 _cell_length_b 10.47564914 _cell_length_c 12.05531440 _cell_angle_alpha 90.07370810 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu12Si12TcRh3 _chemical_formula_sum 'Lu12 Si12 Tc1 Rh3' _cell_volume 522.09989755 _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 Lu Lu0 1 0.25000000 0.87785882 0.02069678 1.0 Lu Lu1 1 0.25000000 0.62093364 0.52170467 1.0 Lu Lu2 1 0.75000000 0.11919521 0.97989187 1.0 Lu Lu3 1 0.75000000 0.37881889 0.48078075 1.0 Lu Lu4 1 0.25000000 0.92229652 0.60315873 1.0 Lu Lu5 1 0.25000000 0.57909937 0.10454377 1.0 Lu Lu6 1 0.75000000 0.07863782 0.39505346 1.0 Lu Lu7 1 0.75000000 0.42050465 0.89551863 1.0 Lu Lu8 1 0.25000000 0.66622564 0.79837504 1.0 Lu Lu9 1 0.25000000 0.83812808 0.29928830 1.0 Lu Lu10 1 0.75000000 0.33936309 0.19920486 1.0 Lu Lu11 1 0.75000000 0.15957761 0.70062826 1.0 Si Si12 1 0.25000000 0.01299992 0.82320699 1.0 Si Si13 1 0.25000000 0.48555924 0.32282636 1.0 Si Si14 1 0.75000000 0.98524152 0.17763647 1.0 Si Si15 1 0.75000000 0.51417936 0.67970983 1.0 Si Si16 1 0.25000000 0.24843066 0.84226035 1.0 Si Si17 1 0.25000000 0.25119425 0.34170989 1.0 Si Si18 1 0.75000000 0.75086074 0.15774375 1.0 Si Si19 1 0.75000000 0.75257871 0.65627909 1.0 Si Si20 1 0.25000000 0.19848915 0.54312385 1.0 Si Si21 1 0.25000000 0.30026942 0.04324926 1.0 Si Si22 1 0.75000000 0.80284063 0.45590888 1.0 Si Si23 1 0.75000000 0.69563904 0.95697310 1.0 Tc Tc24 1 0.25000000 0.39262108 0.67960216 1.0 Rh Rh25 1 0.25000000 0.10919974 0.18077040 1.0 Rh Rh26 1 0.75000000 0.61019061 0.31982830 1.0 Rh Rh27 1 0.75000000 0.88906561 0.82032418 1.0