# generated using pymatgen data_TmZr8(In2Ru)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64180520 _cell_length_b 9.64180497 _cell_length_c 9.64180439 _cell_angle_alpha 59.99999862 _cell_angle_beta 59.99999940 _cell_angle_gamma 60.00000076 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmZr8(In2Ru)7 _chemical_formula_sum 'Tm1 Zr8 In14 Ru7' _cell_volume 633.81134690 _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 0.50000000 0.50000000 0.50000000 1.0 Zr Zr1 1 0.12093169 0.63720792 0.12093169 1.0 Zr Zr2 1 0.36279208 0.87906831 0.87906831 1.0 Zr Zr3 1 0.87906831 0.87906831 0.87906831 1.0 Zr Zr4 1 0.63720792 0.12093169 0.12093169 1.0 Zr Zr5 1 0.87906831 0.87906831 0.36279208 1.0 Zr Zr6 1 0.12093169 0.12093169 0.12093169 1.0 Zr Zr7 1 0.87906831 0.36279208 0.87906831 1.0 Zr Zr8 1 0.12093169 0.12093169 0.63720792 1.0 In In9 1 0.50000000 0.84485974 0.15514026 1.0 In In10 1 0.50000000 0.84485974 0.50000000 1.0 In In11 1 0.50000000 0.15514026 0.50000000 1.0 In In12 1 0.50000000 0.50000000 0.84485974 1.0 In In13 1 0.15514026 0.50000000 0.50000000 1.0 In In14 1 0.84485974 0.15514026 0.50000000 1.0 In In15 1 0.15514026 0.84485974 0.50000000 1.0 In In16 1 0.50000000 0.15514026 0.84485974 1.0 In In17 1 0.15514026 0.50000000 0.84485974 1.0 In In18 1 0.50000000 0.50000000 0.15514026 1.0 In In19 1 0.84485974 0.50000000 0.50000000 1.0 In In20 1 0.84485974 0.50000000 0.15514026 1.0 In In21 1 0.25000000 0.25000000 0.25000000 1.0 In In22 1 0.75000000 0.75000000 0.75000000 1.0 Ru Ru23 1 0.77607144 0.77607144 0.22392856 1.0 Ru Ru24 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru25 1 0.22392856 0.77607144 0.22392856 1.0 Ru Ru26 1 0.22392856 0.77607144 0.77607144 1.0 Ru Ru27 1 0.22392856 0.22392856 0.77607144 1.0 Ru Ru28 1 0.77607144 0.22392856 0.77607144 1.0 Ru Ru29 1 0.77607144 0.22392856 0.22392856 1.0