# generated using pymatgen data_Tb5P12Ir4Ru15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.48539669 _cell_length_b 12.48539748 _cell_length_c 3.96212902 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000309 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5P12Ir4Ru15 _chemical_formula_sum 'Tb5 P12 Ir4 Ru15' _cell_volume 534.88934924 _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 Tb Tb1 1 0.66666700 0.33333300 0.00000000 1.0 Tb Tb2 1 0.81317065 0.99942121 0.50000000 1.0 Tb Tb3 1 0.00057879 0.81374744 0.50000000 1.0 Tb Tb4 1 0.18625256 0.18682935 0.50000000 1.0 P P5 1 0.18368173 0.99742462 0.00000000 1.0 P P6 1 0.00257538 0.18625711 0.00000000 1.0 P P7 1 0.81374289 0.81631827 0.00000000 1.0 P P8 1 0.17205820 0.47793156 0.50000000 1.0 P P9 1 0.52206844 0.69412664 0.50000000 1.0 P P10 1 0.30587336 0.82794180 0.50000000 1.0 P P11 1 0.68865178 0.51919344 0.50000000 1.0 P P12 1 0.83054066 0.31134822 0.50000000 1.0 P P13 1 0.48080656 0.16945934 0.50000000 1.0 P P14 1 0.62526421 0.99590909 0.00000000 1.0 P P15 1 0.00409091 0.62935412 0.00000000 1.0 P P16 1 0.37064588 0.37473579 0.00000000 1.0 Ir Ir17 1 0.81097624 0.62553677 0.00000000 1.0 Ir Ir18 1 0.81456053 0.18902376 0.00000000 1.0 Ir Ir19 1 0.37446323 0.18543947 0.00000000 1.0 Ir Ir20 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru21 1 0.44919788 0.00533224 0.00000000 1.0 Ru Ru22 1 0.99466776 0.44386564 0.00000000 1.0 Ru Ru23 1 0.55613436 0.55080212 0.00000000 1.0 Ru Ru24 1 0.36679218 0.49096553 0.50000000 1.0 Ru Ru25 1 0.50903447 0.87582764 0.50000000 1.0 Ru Ru26 1 0.12417236 0.63320782 0.50000000 1.0 Ru Ru27 1 0.87108172 0.50899599 0.50000000 1.0 Ru Ru28 1 0.63791327 0.12891828 0.50000000 1.0 Ru Ru29 1 0.49100401 0.36208673 0.50000000 1.0 Ru Ru30 1 0.18262369 0.37843581 0.00000000 1.0 Ru Ru31 1 0.62156419 0.80418988 0.00000000 1.0 Ru Ru32 1 0.19581012 0.81737631 0.00000000 1.0 Ru Ru33 1 0.28476334 0.00182211 0.50000000 1.0 Ru Ru34 1 0.99817789 0.28294123 0.50000000 1.0 Ru Ru35 1 0.71705877 0.71523666 0.50000000 1.0