# generated using pymatgen data_Tm2Si(PRu2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34662958 _cell_length_b 9.34662912 _cell_length_c 3.92331634 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999474 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Si(PRu2)6 _chemical_formula_sum 'Tm2 Si1 P6 Ru12' _cell_volume 296.82058896 _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 0.66666700 0.33333300 0.50000000 1.0 Tm Tm1 1 0.33333300 0.66666700 0.00000000 1.0 Si Si2 1 0.00000000 0.00000000 0.00000000 1.0 P P3 1 0.60252842 0.71934444 0.50000000 1.0 P P4 1 0.28065556 0.88318398 0.50000000 1.0 P P5 1 0.11681602 0.39747158 0.50000000 1.0 P P6 1 0.88627971 0.57418565 0.00000000 1.0 P P7 1 0.42581435 0.31209306 0.00000000 1.0 P P8 1 0.68790694 0.11372029 0.00000000 1.0 Ru Ru9 1 0.55403457 0.94965241 0.50000000 1.0 Ru Ru10 1 0.39561985 0.44596543 0.50000000 1.0 Ru Ru11 1 0.91281333 0.11959907 0.50000000 1.0 Ru Ru12 1 0.20678574 0.08718667 0.50000000 1.0 Ru Ru13 1 0.88040093 0.79321426 0.50000000 1.0 Ru Ru14 1 0.71982860 0.88646398 0.00000000 1.0 Ru Ru15 1 0.11353602 0.83336462 0.00000000 1.0 Ru Ru16 1 0.16663538 0.28017140 0.00000000 1.0 Ru Ru17 1 0.42482022 0.06891663 0.00000000 1.0 Ru Ru18 1 0.93108337 0.35590460 0.00000000 1.0 Ru Ru19 1 0.64409540 0.57517978 0.00000000 1.0 Ru Ru20 1 0.05034759 0.60438015 0.50000000 1.0