# generated using pymatgen data_Tm20Cd3Ag3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.34608817 _cell_length_b 9.34608805 _cell_length_c 9.57022483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000040 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm20Cd3Ag3Ru2 _chemical_formula_sum 'Tm20 Cd3 Ag3 Ru2' _cell_volume 723.95656783 _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 0.00000000 0.00000000 0.47808774 1.0 Tm Tm1 1 0.00000000 0.00000000 0.02191226 1.0 Tm Tm2 1 0.20973851 0.79026149 0.44059712 1.0 Tm Tm3 1 0.20973851 0.41947802 0.44059712 1.0 Tm Tm4 1 0.58052198 0.79026149 0.44059712 1.0 Tm Tm5 1 0.79085569 0.20914431 0.55897633 1.0 Tm Tm6 1 0.79085569 0.58171039 0.55897633 1.0 Tm Tm7 1 0.41828961 0.20914431 0.55897633 1.0 Tm Tm8 1 0.79085569 0.20914431 0.94102367 1.0 Tm Tm9 1 0.79085569 0.58171039 0.94102367 1.0 Tm Tm10 1 0.41828961 0.20914431 0.94102367 1.0 Tm Tm11 1 0.20973851 0.79026149 0.05940288 1.0 Tm Tm12 1 0.20973851 0.41947802 0.05940288 1.0 Tm Tm13 1 0.58052198 0.79026149 0.05940288 1.0 Tm Tm14 1 0.54086963 0.45913037 0.25000000 1.0 Tm Tm15 1 0.54086963 0.08173926 0.25000000 1.0 Tm Tm16 1 0.91826074 0.45913037 0.25000000 1.0 Tm Tm17 1 0.45899713 0.54100287 0.75000000 1.0 Tm Tm18 1 0.45899713 0.91799327 0.75000000 1.0 Tm Tm19 1 0.08200673 0.54100287 0.75000000 1.0 Cd Cd20 1 0.11047943 0.88952057 0.75000000 1.0 Cd Cd21 1 0.11047943 0.22095786 0.75000000 1.0 Cd Cd22 1 0.77904214 0.88952057 0.75000000 1.0 Ag Ag23 1 0.87856779 0.12143221 0.25000000 1.0 Ag Ag24 1 0.87856779 0.75713758 0.25000000 1.0 Ag Ag25 1 0.24286242 0.12143221 0.25000000 1.0 Ru Ru26 1 0.33333300 0.66666700 0.25000000 1.0 Ru Ru27 1 0.66666700 0.33333300 0.75000000 1.0