# generated using pymatgen data_TbZrP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33029381 _cell_length_b 9.33029224 _cell_length_c 3.90821168 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000464 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbZrP7Ru12 _chemical_formula_sum 'Tb1 Zr1 P7 Ru12' _cell_volume 294.64512241 _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 Tb Tb0 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.60031813 0.71908805 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.28091195 0.88123208 0.50000000 1.0 P P5 1 0.11876792 0.39968187 0.50000000 1.0 P P6 1 0.88573571 0.57268558 0.00000000 1.0 P P7 1 0.42731442 0.31305013 0.00000000 1.0 P P8 1 0.68694987 0.11426429 0.00000000 1.0 Ru Ru9 1 0.55790740 0.95464508 0.50000000 1.0 Ru Ru10 1 0.39673868 0.44209260 0.50000000 1.0 Ru Ru11 1 0.91480013 0.12219656 0.50000000 1.0 Ru Ru12 1 0.20739643 0.08519987 0.50000000 1.0 Ru Ru13 1 0.87780344 0.79260357 0.50000000 1.0 Ru Ru14 1 0.72686282 0.89060015 0.00000000 1.0 Ru Ru15 1 0.10939985 0.83626167 0.00000000 1.0 Ru Ru16 1 0.16373833 0.27313718 0.00000000 1.0 Ru Ru17 1 0.42743101 0.07373972 0.00000000 1.0 Ru Ru18 1 0.92626028 0.35369229 0.00000000 1.0 Ru Ru19 1 0.64630771 0.57256899 0.00000000 1.0 Ru Ru20 1 0.04535492 0.60326132 0.50000000 1.0