# generated using pymatgen data_TmCo4Si3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70643794 _cell_length_b 10.41088604 _cell_length_c 11.82201383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmCo4Si3Ru _chemical_formula_sum 'Tm4 Co16 Si12 Ru4' _cell_volume 456.17963002 _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 0.25000000 0.58218912 0.70340875 1.0 Tm Tm1 1 0.25000000 0.91781088 0.20340875 1.0 Tm Tm2 1 0.75000000 0.41781088 0.29659125 1.0 Tm Tm3 1 0.75000000 0.08218912 0.79659125 1.0 Co Co4 1 0.25000000 0.40711099 0.48981663 1.0 Co Co5 1 0.25000000 0.09288901 0.98981663 1.0 Co Co6 1 0.75000000 0.59288901 0.51018337 1.0 Co Co7 1 0.75000000 0.90711099 0.01018337 1.0 Co Co8 1 0.25000000 0.21407507 0.17475543 1.0 Co Co9 1 0.25000000 0.28592493 0.67475543 1.0 Co Co10 1 0.75000000 0.78592493 0.82524457 1.0 Co Co11 1 0.75000000 0.71407507 0.32524457 1.0 Co Co12 1 0.25000000 0.88615864 0.70065831 1.0 Co Co13 1 0.25000000 0.61384136 0.20065831 1.0 Co Co14 1 0.75000000 0.11384136 0.29934169 1.0 Co Co15 1 0.75000000 0.38615864 0.79934169 1.0 Co Co16 1 0.25000000 0.46945277 0.93089701 1.0 Co Co17 1 0.25000000 0.03054723 0.43089701 1.0 Co Co18 1 0.75000000 0.53054723 0.06910299 1.0 Co Co19 1 0.75000000 0.96945277 0.56910299 1.0 Si Si20 1 0.25000000 0.41568721 0.11190059 1.0 Si Si21 1 0.25000000 0.08431279 0.61190059 1.0 Si Si22 1 0.75000000 0.58431279 0.88809941 1.0 Si Si23 1 0.75000000 0.91568721 0.38809941 1.0 Si Si24 1 0.25000000 0.27168103 0.86704908 1.0 Si Si25 1 0.25000000 0.22831897 0.36704908 1.0 Si Si26 1 0.75000000 0.72831897 0.13295092 1.0 Si Si27 1 0.75000000 0.77168103 0.63295092 1.0 Si Si28 1 0.25000000 0.59924567 0.39297320 1.0 Si Si29 1 0.25000000 0.90075433 0.89297320 1.0 Si Si30 1 0.75000000 0.40075433 0.60702680 1.0 Si Si31 1 0.75000000 0.09924567 0.10702680 1.0 Ru Ru32 1 0.25000000 0.70496500 0.99061861 1.0 Ru Ru33 1 0.25000000 0.79503500 0.49061861 1.0 Ru Ru34 1 0.75000000 0.29503500 0.00938139 1.0 Ru Ru35 1 0.75000000 0.20496500 0.50938139 1.0