# generated using pymatgen data_Y3Tm7Al3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.45259373 _cell_length_b 9.45259370 _cell_length_c 9.46255806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999658 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Tm7Al3Ru _chemical_formula_sum 'Y6 Tm14 Al6 Ru2' _cell_volume 732.21932587 _cell_formula_units_Z 2 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 Y Y0 1 0.53948680 0.46051320 0.25000000 1.0 Y Y1 1 0.53948680 0.07897460 0.25000000 1.0 Y Y2 1 0.92102540 0.46051320 0.25000000 1.0 Y Y3 1 0.46051320 0.53948680 0.75000000 1.0 Y Y4 1 0.46051320 0.92102540 0.75000000 1.0 Y Y5 1 0.07897460 0.53948680 0.75000000 1.0 Tm Tm6 1 0.00000000 0.00000000 0.50000000 1.0 Tm Tm7 1 0.00000000 0.00000000 0.00000000 1.0 Tm Tm8 1 0.20799583 0.79200417 0.43951080 1.0 Tm Tm9 1 0.20799583 0.41599265 0.43951080 1.0 Tm Tm10 1 0.58400735 0.79200417 0.43951080 1.0 Tm Tm11 1 0.79200417 0.20799583 0.56048920 1.0 Tm Tm12 1 0.79200417 0.58400735 0.56048920 1.0 Tm Tm13 1 0.41599265 0.20799583 0.56048920 1.0 Tm Tm14 1 0.79200417 0.20799583 0.93951080 1.0 Tm Tm15 1 0.79200417 0.58400735 0.93951080 1.0 Tm Tm16 1 0.41599265 0.20799583 0.93951080 1.0 Tm Tm17 1 0.20799583 0.79200417 0.06048920 1.0 Tm Tm18 1 0.20799583 0.41599265 0.06048920 1.0 Tm Tm19 1 0.58400735 0.79200417 0.06048920 1.0 Al Al20 1 0.88933616 0.11066384 0.25000000 1.0 Al Al21 1 0.88933616 0.77867333 0.25000000 1.0 Al Al22 1 0.22132667 0.11066384 0.25000000 1.0 Al Al23 1 0.11066384 0.88933616 0.75000000 1.0 Al Al24 1 0.11066384 0.22132667 0.75000000 1.0 Al Al25 1 0.77867333 0.88933616 0.75000000 1.0 Ru Ru26 1 0.33333300 0.66666700 0.25000000 1.0 Ru Ru27 1 0.66666700 0.33333300 0.75000000 1.0