# generated using pymatgen data_La5Tc6P12Ir13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.74341813 _cell_length_b 12.74341793 _cell_length_c 4.03498643 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999543 _symmetry_Int_Tables_number 1 _chemical_formula_structural La5Tc6P12Ir13 _chemical_formula_sum 'La5 Tc6 P12 Ir13' _cell_volume 567.47219848 _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 La La0 1 0.33333300 0.66666700 0.50000000 1.0 La La1 1 0.66666700 0.33333300 0.50000000 1.0 La La2 1 0.00053369 0.81241542 0.00000000 1.0 La La3 1 0.18758458 0.18811727 0.00000000 1.0 La La4 1 0.81188273 0.99946631 0.00000000 1.0 Tc Tc5 1 0.99067506 0.44527171 0.50000000 1.0 Tc Tc6 1 0.55472829 0.54540234 0.50000000 1.0 Tc Tc7 1 0.45459766 0.00932494 0.50000000 1.0 Tc Tc8 1 0.61888587 0.79761281 0.50000000 1.0 Tc Tc9 1 0.20238719 0.82127307 0.50000000 1.0 Tc Tc10 1 0.17872693 0.38111413 0.50000000 1.0 P P11 1 0.00785572 0.63353191 0.50000000 1.0 P P12 1 0.36646809 0.37432481 0.50000000 1.0 P P13 1 0.62567519 0.99214428 0.50000000 1.0 P P14 1 0.52445381 0.69586631 0.00000000 1.0 P P15 1 0.30413369 0.82858750 0.00000000 1.0 P P16 1 0.17141250 0.47554619 0.00000000 1.0 P P17 1 0.48017517 0.16714608 0.00000000 1.0 P P18 1 0.68697091 0.51982483 0.00000000 1.0 P P19 1 0.83285392 0.31302909 0.00000000 1.0 P P20 1 0.00338198 0.18673224 0.50000000 1.0 P P21 1 0.81326776 0.81665075 0.50000000 1.0 P P22 1 0.18334925 0.99661802 0.50000000 1.0 Ir Ir23 1 0.50810413 0.87796242 0.00000000 1.0 Ir Ir24 1 0.12203758 0.63014271 0.00000000 1.0 Ir Ir25 1 0.36985729 0.49189587 0.00000000 1.0 Ir Ir26 1 0.49298763 0.35977470 0.00000000 1.0 Ir Ir27 1 0.86678808 0.50701237 0.00000000 1.0 Ir Ir28 1 0.64022530 0.13321192 0.00000000 1.0 Ir Ir29 1 0.99567541 0.28467922 0.00000000 1.0 Ir Ir30 1 0.71532078 0.71099719 0.00000000 1.0 Ir Ir31 1 0.28900281 0.00432459 0.00000000 1.0 Ir Ir32 1 0.37723233 0.18473260 0.50000000 1.0 Ir Ir33 1 0.80750027 0.62276767 0.50000000 1.0 Ir Ir34 1 0.81526740 0.19249973 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0