# generated using pymatgen data_Tb5P12Ru16Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97265333 _cell_length_b 12.52010726 _cell_length_c 12.51998343 _cell_angle_alpha 120.00033077 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5P12Ru16Pt3 _chemical_formula_sum 'Tb5 P12 Ru16 Pt3' _cell_volume 539.28911641 _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 0.50000000 0.99999261 0.18165622 1.0 Tb Tb1 1 0.50000000 0.18166985 1.00000000 1.0 Tb Tb2 1 0.50000000 0.81833739 0.81834378 1.0 Tb Tb3 1 0.00000000 0.33333405 0.66667449 1.0 Tb Tb4 1 0.00000000 0.66665956 0.33332551 1.0 P P5 1 0.00000000 0.00000441 0.81425043 1.0 P P6 1 0.00000000 0.81423361 1.00000000 1.0 P P7 1 0.00000000 0.18575298 0.18574957 1.0 P P8 1 0.50000000 0.29938668 0.47981866 1.0 P P9 1 0.50000000 0.18044034 0.70061357 1.0 P P10 1 0.50000000 0.52016726 0.81956195 1.0 P P11 1 0.50000000 0.81956802 0.52018134 1.0 P P12 1 0.50000000 0.47982477 0.29938643 1.0 P P13 1 0.50000000 0.70060631 0.18043805 1.0 P P14 1 0.00000000 0.99999378 0.36564640 1.0 P P15 1 0.00000000 0.36565023 0.00000000 1.0 P P16 1 0.00000000 0.63434738 0.63435360 1.0 Ru Ru17 1 0.50000000 0.99997930 0.71044404 1.0 Ru Ru18 1 0.50000000 0.71044848 1.00000000 1.0 Ru Ru19 1 0.50000000 0.28953526 0.28955596 1.0 Ru Ru20 1 0.00000000 0.19403746 0.37905857 1.0 Ru Ru21 1 0.00000000 0.18500912 0.80595390 1.0 Ru Ru22 1 0.00000000 0.62093208 0.81496642 1.0 Ru Ru23 1 0.00000000 0.81497888 0.62094143 1.0 Ru Ru24 1 0.00000000 0.37905521 0.19404610 1.0 Ru Ru25 1 0.00000000 0.80596466 0.18503358 1.0 Ru Ru26 1 0.50000000 0.12450921 0.49413337 1.0 Ru Ru27 1 0.50000000 0.36963061 0.87549569 1.0 Ru Ru28 1 0.50000000 0.50586459 0.63036114 1.0 Ru Ru29 1 0.50000000 0.63037584 0.50586663 1.0 Ru Ru30 1 0.50000000 0.49413492 0.12450431 1.0 Ru Ru31 1 0.50000000 0.87550445 0.36963886 1.0 Ru Ru32 1 0.00000000 0.99998375 1.00000000 1.0 Pt Pt33 1 0.00000000 0.99999491 0.55110617 1.0 Pt Pt34 1 0.00000000 0.55110229 1.00000000 1.0 Pt Pt35 1 0.00000000 0.44888874 0.44889383 1.0