# generated using pymatgen data_Tm2Sc3GaSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07078398 _cell_length_b 7.36875957 _cell_length_c 14.02155057 _cell_angle_alpha 90.04654945 _cell_angle_beta 89.96932733 _cell_angle_gamma 90.08795653 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Sc3GaSi3 _chemical_formula_sum 'Tm8 Sc12 Ga4 Si12' _cell_volume 730.56234063 _cell_formula_units_Z 4 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 0.01184498 0.17575828 0.09682847 1.0 Tm Tm1 1 0.98913177 0.82421347 0.90235940 1.0 Tm Tm2 1 0.48785665 0.67853858 0.90159021 1.0 Tm Tm3 1 0.98879748 0.82531419 0.60046559 1.0 Tm Tm4 1 0.51093453 0.31928491 0.09693040 1.0 Tm Tm5 1 0.01015935 0.17733313 0.40055674 1.0 Tm Tm6 1 0.51077809 0.32256187 0.39997725 1.0 Tm Tm7 1 0.49010680 0.67745690 0.60064009 1.0 Sc Sc8 1 0.16333647 0.50223331 0.75127791 1.0 Sc Sc9 1 0.83681274 0.49720849 0.24984926 1.0 Sc Sc10 1 0.33587322 0.00308444 0.24841635 1.0 Sc Sc11 1 0.66423220 0.99717304 0.75020138 1.0 Sc Sc12 1 0.33170145 0.17493619 0.62755359 1.0 Sc Sc13 1 0.66895755 0.82574834 0.37349608 1.0 Sc Sc14 1 0.17028837 0.67276283 0.37330752 1.0 Sc Sc15 1 0.66942598 0.82577300 0.12511907 1.0 Sc Sc16 1 0.82988972 0.32556649 0.62658855 1.0 Sc Sc17 1 0.33079923 0.17593322 0.87485988 1.0 Sc Sc18 1 0.82858462 0.32366343 0.87466162 1.0 Sc Sc19 1 0.17164489 0.67574957 0.12461809 1.0 Ga Ga20 1 0.16214386 0.46295769 0.53991825 1.0 Ga Ga21 1 0.83837034 0.53708318 0.46143241 1.0 Ga Ga22 1 0.33885409 0.96331726 0.46149235 1.0 Ga Ga23 1 0.83921234 0.53711471 0.03860649 1.0 Si Si24 1 0.03387573 0.11303010 0.75133575 1.0 Si Si25 1 0.96662597 0.88738435 0.24958888 1.0 Si Si26 1 0.46724969 0.61137614 0.24773215 1.0 Si Si27 1 0.53373905 0.38828682 0.75148353 1.0 Si Si28 1 0.28599368 0.87014640 0.75171434 1.0 Si Si29 1 0.71452967 0.12965585 0.24832652 1.0 Si Si30 1 0.21394037 0.36945274 0.24809429 1.0 Si Si31 1 0.78671859 0.63102169 0.75179203 1.0 Si Si32 1 0.65818025 0.03439864 0.53942692 1.0 Si Si33 1 0.15880664 0.46482772 0.96091643 1.0 Si Si34 1 0.65939045 0.03445312 0.96130533 1.0 Si Si35 1 0.34121518 0.96520092 0.03753991 1.0