# generated using pymatgen data_Tm7Co4Sn23Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68494924 _cell_length_b 9.68494857 _cell_length_c 9.81714133 _cell_angle_alpha 90.40265162 _cell_angle_beta 89.59734754 _cell_angle_gamma 120.00935248 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm7Co4Sn23Ru2 _chemical_formula_sum 'Tm7 Co4 Sn23 Ru2' _cell_volume 797.36121635 _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 0.48219873 0.51780127 0.30663005 1.0 Tm Tm1 1 0.51780127 0.48219873 0.69336995 1.0 Tm Tm2 1 0.48364315 0.96322020 0.30550946 1.0 Tm Tm3 1 0.51635685 0.03677980 0.69449054 1.0 Tm Tm4 1 0.03677980 0.51635685 0.30550946 1.0 Tm Tm5 1 0.96322020 0.48364315 0.69449054 1.0 Tm Tm6 1 0.00000000 0.00000000 0.00000000 1.0 Co Co7 1 0.82906736 0.66144657 0.19911809 1.0 Co Co8 1 0.17093264 0.33855343 0.80088191 1.0 Co Co9 1 0.33855343 0.17093264 0.19911809 1.0 Co Co10 1 0.66144657 0.82906736 0.80088191 1.0 Sn Sn11 1 0.11664430 0.88335570 0.27537848 1.0 Sn Sn12 1 0.88335570 0.11664430 0.72462152 1.0 Sn Sn13 1 0.12227028 0.23488083 0.27808630 1.0 Sn Sn14 1 0.87772972 0.76511917 0.72191370 1.0 Sn Sn15 1 0.76511917 0.87772972 0.27808630 1.0 Sn Sn16 1 0.23488083 0.12227028 0.72191370 1.0 Sn Sn17 1 0.77791834 0.22208166 0.45984388 1.0 Sn Sn18 1 0.22208166 0.77791834 0.54015612 1.0 Sn Sn19 1 0.77966765 0.55936045 0.45412574 1.0 Sn Sn20 1 0.22033235 0.44063955 0.54587426 1.0 Sn Sn21 1 0.44063955 0.22033235 0.45412574 1.0 Sn Sn22 1 0.55936045 0.77966765 0.54587426 1.0 Sn Sn23 1 0.34972596 0.00330210 0.00466831 1.0 Sn Sn24 1 0.65027404 0.99669790 0.99533169 1.0 Sn Sn25 1 0.00330210 0.34972596 0.99533169 1.0 Sn Sn26 1 0.99669790 0.65027404 0.00466831 1.0 Sn Sn27 1 0.65307581 0.65307581 1.00000000 1.0 Sn Sn28 1 0.34692419 0.34692419 0.00000000 1.0 Sn Sn29 1 0.33436731 0.66563269 0.12388401 1.0 Sn Sn30 1 0.66563269 0.33436731 0.87611599 1.0 Sn Sn31 1 0.33392654 0.66607346 0.82300451 1.0 Sn Sn32 1 0.66607346 0.33392654 0.17699549 1.0 Sn Sn33 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru34 1 0.83220094 0.16779906 0.19848042 1.0 Ru Ru35 1 0.16779906 0.83220094 0.80151958 1.0