# generated using pymatgen data_Mg5Si5P7Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.63728041 _cell_length_b 12.62630372 _cell_length_c 3.85596942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.80911027 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si5P7Ir19 _chemical_formula_sum 'Mg5 Si5 P7 Ir19' _cell_volume 533.85859174 _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 Mg Mg0 1 0.32534836 0.66494031 0.50000000 1.0 Mg Mg1 1 0.66687973 0.33334816 0.50000000 1.0 Mg Mg2 1 0.17100640 0.18028723 0.00000000 1.0 Mg Mg3 1 0.82306889 0.99378239 0.00000000 1.0 Mg Mg4 1 0.00974695 0.82912502 0.00000000 1.0 Si Si5 1 0.31783513 0.83617686 0.00000000 1.0 Si Si6 1 0.16207546 0.48202694 0.00000000 1.0 Si Si7 1 0.36236140 0.36268630 0.50000000 1.0 Si Si8 1 0.63783285 0.99930254 0.50000000 1.0 Si Si9 1 0.00032967 0.63770624 0.50000000 1.0 P P10 1 0.51752220 0.68183413 0.00000000 1.0 P P11 1 0.81970066 0.30465142 0.00000000 1.0 P P12 1 0.48681988 0.17915312 0.00000000 1.0 P P13 1 0.69370573 0.51491801 0.00000000 1.0 P P14 1 0.82638067 0.81985594 0.50000000 1.0 P P15 1 0.18175344 0.00693642 0.50000000 1.0 P P16 1 0.99649475 0.17533216 0.50000000 1.0 Ir Ir17 1 0.18735680 0.82482754 0.50000000 1.0 Ir Ir18 1 0.17766575 0.36520439 0.50000000 1.0 Ir Ir19 1 0.63890793 0.81378559 0.50000000 1.0 Ir Ir20 1 0.81525516 0.19771698 0.50000000 1.0 Ir Ir21 1 0.38569991 0.18634255 0.50000000 1.0 Ir Ir22 1 0.80287492 0.61930673 0.50000000 1.0 Ir Ir23 1 0.13142690 0.64800560 0.00000000 1.0 Ir Ir24 1 0.35475581 0.49150360 0.00000000 1.0 Ir Ir25 1 0.51331534 0.86141066 0.00000000 1.0 Ir Ir26 1 0.63186583 0.12672894 0.00000000 1.0 Ir Ir27 1 0.49826372 0.36858228 0.00000000 1.0 Ir Ir28 1 0.86810852 0.50070496 0.00000000 1.0 Ir Ir29 1 0.54150753 0.55434774 0.50000000 1.0 Ir Ir30 1 0.44380107 0.98354457 0.50000000 1.0 Ir Ir31 1 0.01296439 0.45703339 0.50000000 1.0 Ir Ir32 1 0.71630688 0.71191691 0.00000000 1.0 Ir Ir33 1 0.28800097 0.00937654 0.00000000 1.0 Ir Ir34 1 0.99260232 0.27802810 0.00000000 1.0 Ir Ir35 1 0.00045611 0.99956674 0.50000000 1.0