# generated using pymatgen data_Er5Si6P6Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.70674058 _cell_length_b 12.70673982 _cell_length_c 3.92051800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000386 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Si6P6Ir19 _chemical_formula_sum 'Er5 Si6 P6 Ir19' _cell_volume 548.20421174 _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 Er Er0 1 0.66666700 0.33333300 0.00000000 1.0 Er Er1 1 0.33333300 0.66666700 0.00000000 1.0 Er Er2 1 0.81797093 0.81569321 0.50000000 1.0 Er Er3 1 0.18430679 0.00227772 0.50000000 1.0 Er Er4 1 0.99772228 0.18202907 0.50000000 1.0 Si Si5 1 0.68172781 0.16219536 0.50000000 1.0 Si Si6 1 0.83780464 0.51953245 0.50000000 1.0 Si Si7 1 0.48046755 0.31827219 0.50000000 1.0 Si Si8 1 0.63629127 0.63543195 0.00000000 1.0 Si Si9 1 0.36456805 0.00086033 0.00000000 1.0 Si Si10 1 0.99913967 0.36370873 0.00000000 1.0 P P11 1 0.17880864 0.69484192 0.50000000 1.0 P P12 1 0.51603327 0.82119136 0.50000000 1.0 P P13 1 0.30515808 0.48396673 0.50000000 1.0 P P14 1 0.17568248 0.18016406 0.00000000 1.0 P P15 1 0.81983594 0.99551742 0.00000000 1.0 P P16 1 0.00448258 0.82431752 0.00000000 1.0 Ir Ir17 1 0.81009552 0.17571318 0.00000000 1.0 Ir Ir18 1 0.82428682 0.63438234 0.00000000 1.0 Ir Ir19 1 0.36561766 0.18990448 0.00000000 1.0 Ir Ir20 1 0.18356822 0.80116277 0.00000000 1.0 Ir Ir21 1 0.61759454 0.81643178 0.00000000 1.0 Ir Ir22 1 0.19883723 0.38240546 0.00000000 1.0 Ir Ir23 1 0.45981051 0.44178908 0.00000000 1.0 Ir Ir24 1 0.55821092 0.01802143 0.00000000 1.0 Ir Ir25 1 0.98197857 0.54018949 0.00000000 1.0 Ir Ir26 1 0.27746911 0.28447604 0.50000000 1.0 Ir Ir27 1 0.71552396 0.99299307 0.50000000 1.0 Ir Ir28 1 0.00700693 0.72253089 0.50000000 1.0 Ir Ir29 1 0.86784782 0.35242172 0.50000000 1.0 Ir Ir30 1 0.64757828 0.51542710 0.50000000 1.0 Ir Ir31 1 0.48457290 0.13215218 0.50000000 1.0 Ir Ir32 1 0.36936389 0.87407121 0.50000000 1.0 Ir Ir33 1 0.50470832 0.63063611 0.50000000 1.0 Ir Ir34 1 0.12592879 0.49529168 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0