# generated using pymatgen data_Tm20Ru11Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.61959604 _cell_length_b 10.61959552 _cell_length_c 6.30029659 _cell_angle_alpha 90.19602551 _cell_angle_beta 90.19602919 _cell_angle_gamma 89.62125870 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm20Ru11Se _chemical_formula_sum 'Tm20 Ru11 Se1' _cell_volume 710.49729335 _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 0.29438197 0.08952258 0.37551565 1.0 Tm Tm1 1 0.29495745 0.92407817 0.87597949 1.0 Tm Tm2 1 0.71146610 0.08848803 0.87956481 1.0 Tm Tm3 1 0.71071094 0.91480638 0.38376904 1.0 Tm Tm4 1 0.59794758 0.79910264 0.87850943 1.0 Tm Tm5 1 0.58905382 0.20694228 0.37654522 1.0 Tm Tm6 1 0.41689359 0.80146535 0.37370091 1.0 Tm Tm7 1 0.41612418 0.21220579 0.87984475 1.0 Tm Tm8 1 0.20089736 0.40205242 0.62149057 1.0 Tm Tm9 1 0.19853465 0.58310641 0.12629909 1.0 Tm Tm10 1 0.79305772 0.41094618 0.12345478 1.0 Tm Tm11 1 0.78779421 0.58387582 0.62015525 1.0 Tm Tm12 1 0.91047742 0.70561803 0.12448435 1.0 Tm Tm13 1 0.91151197 0.28853390 0.62043519 1.0 Tm Tm14 1 0.07592183 0.70504255 0.62402051 1.0 Tm Tm15 1 0.08519362 0.28928906 0.11623096 1.0 Tm Tm16 1 0.00453905 0.99817065 0.49915320 1.0 Tm Tm17 1 0.00182935 0.99546095 0.00084680 1.0 Tm Tm18 1 0.50401962 0.49998821 0.00466090 1.0 Tm Tm19 1 0.50001179 0.49598038 0.49533910 1.0 Ru Ru20 1 0.84836988 0.15163012 0.25000000 1.0 Ru Ru21 1 0.84997413 0.84258895 0.74952200 1.0 Ru Ru22 1 0.15741105 0.15002587 0.75047800 1.0 Ru Ru23 1 0.15576942 0.84423058 0.25000000 1.0 Ru Ru24 1 0.65162561 0.34837439 0.75000000 1.0 Ru Ru25 1 0.64192228 0.65575554 0.25546479 1.0 Ru Ru26 1 0.34424446 0.35807772 0.24453521 1.0 Ru Ru27 1 0.50372581 0.99941669 0.12753324 1.0 Ru Ru28 1 0.50230535 0.00443576 0.63089062 1.0 Ru Ru29 1 0.99556424 0.49769465 0.86910938 1.0 Ru Ru30 1 0.00058331 0.49627419 0.37246676 1.0 Se Se31 1 0.34318125 0.65681875 0.75000000 1.0