# generated using pymatgen data_Tm7P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.61717025 _cell_length_b 12.90671123 _cell_length_c 3.93976669 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.26064635 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm7P12Ir17 _chemical_formula_sum 'Tm7 P12 Ir17' _cell_volume 559.71417505 _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 Tm Tm0 1 0.33045038 0.66233135 0.50000000 1.0 Tm Tm1 1 0.66811903 0.33766865 0.50000000 1.0 Tm Tm2 1 0.00267736 0.81726003 0.00000000 1.0 Tm Tm3 1 0.18541833 0.18273997 0.00000000 1.0 Tm Tm4 1 0.81136387 1.00000000 0.00000000 1.0 Tm Tm5 1 0.99538782 0.44384418 0.50000000 1.0 Tm Tm6 1 0.55154364 0.55615582 0.50000000 1.0 P P7 1 0.01048159 0.66015169 0.50000000 1.0 P P8 1 0.35032990 0.33984831 0.50000000 1.0 P P9 1 0.64509122 1.00000000 0.50000000 1.0 P P10 1 0.51707727 0.69248760 0.00000000 1.0 P P11 1 0.30896795 0.82401085 0.00000000 1.0 P P12 1 0.16729724 0.48119959 0.00000000 1.0 P P13 1 0.48495611 0.17598915 0.00000000 1.0 P P14 1 0.68609865 0.51880041 0.00000000 1.0 P P15 1 0.82458867 0.30751240 0.00000000 1.0 P P16 1 0.99993481 0.17411735 0.50000000 1.0 P P17 1 0.82581846 0.82588265 0.50000000 1.0 P P18 1 0.18089795 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50356578 0.86587997 0.00000000 1.0 Ir Ir20 1 0.12156456 0.64440606 0.00000000 1.0 Ir Ir21 1 0.35897455 0.50567733 0.00000000 1.0 Ir Ir22 1 0.47715951 0.35559394 0.00000000 1.0 Ir Ir23 1 0.85329922 0.49432267 0.00000000 1.0 Ir Ir24 1 0.63768581 0.13412003 0.00000000 1.0 Ir Ir25 1 0.46576811 0.00000000 0.50000000 1.0 Ir Ir26 1 0.99641813 0.27086063 0.00000000 1.0 Ir Ir27 1 0.72555850 0.72913937 0.00000000 1.0 Ir Ir28 1 0.28464285 1.00000000 0.00000000 1.0 Ir Ir29 1 0.62538633 0.81171656 0.50000000 1.0 Ir Ir30 1 0.20800118 0.82829684 0.50000000 1.0 Ir Ir31 1 0.18118540 0.36351544 0.50000000 1.0 Ir Ir32 1 0.37970334 0.17170316 0.50000000 1.0 Ir Ir33 1 0.81766996 0.63648456 0.50000000 1.0 Ir Ir34 1 0.81366977 0.18828344 0.50000000 1.0 Ir Ir35 1 0.00324572 0.00000000 0.50000000 1.0