# generated using pymatgen data_Tm2Hf2TaSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13460844 _cell_length_b 7.13460844 _cell_length_c 13.10198096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Hf2TaSi4 _chemical_formula_sum 'Tm8 Hf8 Ta4 Si16' _cell_volume 666.92538876 _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 0.49870316 0.15520724 0.53499252 1.0 Tm Tm1 1 0.50129684 0.84479276 0.03499252 1.0 Tm Tm2 1 0.65520724 0.00129684 0.28499252 1.0 Tm Tm3 1 0.34479276 0.99870316 0.78499252 1.0 Tm Tm4 1 0.84479276 0.50129684 0.96500748 1.0 Tm Tm5 1 0.15520724 0.49870316 0.46500748 1.0 Tm Tm6 1 0.00129684 0.65520724 0.71500748 1.0 Tm Tm7 1 0.99870316 0.34479276 0.21500748 1.0 Hf Hf8 1 0.49397846 0.35327906 0.12413394 1.0 Hf Hf9 1 0.50602154 0.64672094 0.62413394 1.0 Hf Hf10 1 0.85327906 0.00602154 0.87413394 1.0 Hf Hf11 1 0.14672094 0.99397846 0.37413394 1.0 Hf Hf12 1 0.64672094 0.50602154 0.37586606 1.0 Hf Hf13 1 0.35327906 0.49397846 0.87586606 1.0 Hf Hf14 1 0.00602154 0.85327906 0.12586606 1.0 Hf Hf15 1 0.99397846 0.14672094 0.62586606 1.0 Ta Ta16 1 0.67531259 0.32468741 0.75000000 1.0 Ta Ta17 1 0.32468741 0.67531259 0.25000000 1.0 Ta Ta18 1 0.82468741 0.82468741 0.50000000 1.0 Ta Ta19 1 0.17531259 0.17531259 0.00000000 1.0 Si Si20 1 0.79803736 0.14125061 0.06667747 1.0 Si Si21 1 0.20196264 0.85874939 0.56667747 1.0 Si Si22 1 0.64125061 0.70196264 0.81667747 1.0 Si Si23 1 0.35874939 0.29803736 0.31667747 1.0 Si Si24 1 0.85874939 0.20196264 0.43332253 1.0 Si Si25 1 0.14125061 0.79803736 0.93332253 1.0 Si Si26 1 0.70196264 0.64125061 0.18332253 1.0 Si Si27 1 0.29803736 0.35874939 0.68332253 1.0 Si Si28 1 0.54887245 0.20217737 0.93509395 1.0 Si Si29 1 0.45112755 0.79782263 0.43509395 1.0 Si Si30 1 0.70217737 0.95112755 0.68509395 1.0 Si Si31 1 0.29782263 0.04887245 0.18509395 1.0 Si Si32 1 0.79782263 0.45112755 0.56490605 1.0 Si Si33 1 0.20217737 0.54887245 0.06490605 1.0 Si Si34 1 0.95112755 0.70217737 0.31490605 1.0 Si Si35 1 0.04887245 0.29782263 0.81490605 1.0