# generated using pymatgen data_TbHfP7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32699994 _cell_length_b 9.32699885 _cell_length_c 3.90175625 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999599 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbHfP7Ru12 _chemical_formula_sum 'Tb1 Hf1 P7 Ru12' _cell_volume 293.95082402 _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 Hf Hf1 1 0.66666700 0.33333300 0.50000000 1.0 P P2 1 0.60059969 0.72014021 0.50000000 1.0 P P3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.27985979 0.88045947 0.50000000 1.0 P P5 1 0.11954053 0.39940031 0.50000000 1.0 P P6 1 0.88528355 0.57132631 0.00000000 1.0 P P7 1 0.42867369 0.31395724 0.00000000 1.0 P P8 1 0.68604276 0.11471645 0.00000000 1.0 Ru Ru9 1 0.55747208 0.95555530 0.50000000 1.0 Ru Ru10 1 0.39808322 0.44252792 0.50000000 1.0 Ru Ru11 1 0.91497822 0.12172016 0.50000000 1.0 Ru Ru12 1 0.20674194 0.08502178 0.50000000 1.0 Ru Ru13 1 0.87827984 0.79325806 0.50000000 1.0 Ru Ru14 1 0.72641080 0.89063334 0.00000000 1.0 Ru Ru15 1 0.10936666 0.83577646 0.00000000 1.0 Ru Ru16 1 0.16422354 0.27358920 0.00000000 1.0 Ru Ru17 1 0.42772425 0.07533666 0.00000000 1.0 Ru Ru18 1 0.92466334 0.35238859 0.00000000 1.0 Ru Ru19 1 0.64761141 0.57227575 0.00000000 1.0 Ru Ru20 1 0.04444470 0.60191678 0.50000000 1.0