# generated using pymatgen data_Tb5Zr3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.83791712 _cell_length_b 12.83791604 _cell_length_c 3.96611843 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999770 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Zr3(P3Ir4)4 _chemical_formula_sum 'Tb5 Zr3 P12 Ir16' _cell_volume 566.08991564 _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 0.81577662 1.00000000 0.50000000 1.0 Tb Tb3 1 0.00000000 0.81577662 0.50000000 1.0 Tb Tb4 1 0.18422338 0.18422338 0.50000000 1.0 Zr Zr5 1 0.44856563 0.00000000 0.00000000 1.0 Zr Zr6 1 1.00000000 0.44856563 0.00000000 1.0 Zr Zr7 1 0.55143437 0.55143437 0.00000000 1.0 P P8 1 0.17567375 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17567375 0.00000000 1.0 P P10 1 0.82432625 0.82432625 0.00000000 1.0 P P11 1 0.17016562 0.48215329 0.50000000 1.0 P P12 1 0.51784671 0.68801234 0.50000000 1.0 P P13 1 0.31198766 0.82983438 0.50000000 1.0 P P14 1 0.68801234 0.51784671 0.50000000 1.0 P P15 1 0.82983438 0.31198766 0.50000000 1.0 P P16 1 0.48215329 0.17016562 0.50000000 1.0 P P17 1 0.65041738 1.00000000 0.00000000 1.0 P P18 1 0.00000000 0.65041738 0.00000000 1.0 P P19 1 0.34958262 0.34958262 0.00000000 1.0 Ir Ir20 1 0.35817569 0.49401651 0.50000000 1.0 Ir Ir21 1 0.50598349 0.86415918 0.50000000 1.0 Ir Ir22 1 0.13584082 0.64182431 0.50000000 1.0 Ir Ir23 1 0.86415918 0.50598349 0.50000000 1.0 Ir Ir24 1 0.64182431 0.13584082 0.50000000 1.0 Ir Ir25 1 0.49401651 0.35817569 0.50000000 1.0 Ir Ir26 1 0.17803512 0.37119166 0.00000000 1.0 Ir Ir27 1 0.62880834 0.80684347 0.00000000 1.0 Ir Ir28 1 0.19315653 0.82196488 0.00000000 1.0 Ir Ir29 1 0.80684347 0.62880834 0.00000000 1.0 Ir Ir30 1 0.82196488 0.19315653 0.00000000 1.0 Ir Ir31 1 0.37119166 0.17803512 0.00000000 1.0 Ir Ir32 1 0.27964029 1.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.27964029 0.50000000 1.0 Ir Ir34 1 0.72035971 0.72035971 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0