# generated using pymatgen data_Sc5Tc3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.49233501 _cell_length_b 12.49233503 _cell_length_c 3.90563524 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999995 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Tc3(P3Ir4)4 _chemical_formula_sum 'Sc5 Tc3 P12 Ir16' _cell_volume 527.84882406 _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 Sc Sc0 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc2 1 0.82250841 0.00000000 0.50000000 1.0 Sc Sc3 1 1.00000000 0.82250841 0.50000000 1.0 Sc Sc4 1 0.17749159 0.17749159 0.50000000 1.0 Tc Tc5 1 0.45616653 0.00000000 0.00000000 1.0 Tc Tc6 1 1.00000000 0.45616653 0.00000000 1.0 Tc Tc7 1 0.54383347 0.54383347 0.00000000 1.0 P P8 1 0.17468650 0.00000000 0.00000000 1.0 P P9 1 0.00000000 0.17468650 0.00000000 1.0 P P10 1 0.82531350 0.82531350 0.00000000 1.0 P P11 1 0.17023261 0.48584915 0.50000000 1.0 P P12 1 0.51415085 0.68438246 0.50000000 1.0 P P13 1 0.31561754 0.82976739 0.50000000 1.0 P P14 1 0.68438246 0.51415085 0.50000000 1.0 P P15 1 0.82976739 0.31561754 0.50000000 1.0 P P16 1 0.48584915 0.17023261 0.50000000 1.0 P P17 1 0.64136292 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.64136292 0.00000000 1.0 P P19 1 0.35863708 0.35863708 0.00000000 1.0 Ir Ir20 1 0.35698278 0.49111759 0.50000000 1.0 Ir Ir21 1 0.50888241 0.86586519 0.50000000 1.0 Ir Ir22 1 0.13413481 0.64301722 0.50000000 1.0 Ir Ir23 1 0.86586519 0.50888241 0.50000000 1.0 Ir Ir24 1 0.64301722 0.13413481 0.50000000 1.0 Ir Ir25 1 0.49111759 0.35698278 0.50000000 1.0 Ir Ir26 1 0.17887664 0.36950409 0.00000000 1.0 Ir Ir27 1 0.63049591 0.80937355 0.00000000 1.0 Ir Ir28 1 0.19062645 0.82112336 0.00000000 1.0 Ir Ir29 1 0.80937355 0.63049591 0.00000000 1.0 Ir Ir30 1 0.82112336 0.19062645 0.00000000 1.0 Ir Ir31 1 0.36950409 0.17887664 0.00000000 1.0 Ir Ir32 1 0.29097824 0.00000000 0.50000000 1.0 Ir Ir33 1 1.00000000 0.29097824 0.50000000 1.0 Ir Ir34 1 0.70902176 0.70902176 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0