# generated using pymatgen data_Ho5Zr3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.82295105 _cell_length_b 12.82295005 _cell_length_c 3.95032384 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000006 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho5Zr3(P3Ir4)4 _chemical_formula_sum 'Ho5 Zr3 P12 Ir16' _cell_volume 562.52168148 _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 Ho Ho0 1 0.33333300 0.66666700 0.00000000 1.0 Ho Ho1 1 0.66666700 0.33333300 0.00000000 1.0 Ho Ho2 1 0.81625860 0.00000000 0.50000000 1.0 Ho Ho3 1 1.00000000 0.81625860 0.50000000 1.0 Ho Ho4 1 0.18374140 0.18374140 0.50000000 1.0 Zr Zr5 1 0.44885516 0.00000000 0.00000000 1.0 Zr Zr6 1 1.00000000 0.44885516 0.00000000 1.0 Zr Zr7 1 0.55114484 0.55114484 0.00000000 1.0 P P8 1 0.17519101 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17519101 0.00000000 1.0 P P10 1 0.82480899 0.82480899 0.00000000 1.0 P P11 1 0.17053843 0.48233600 0.50000000 1.0 P P12 1 0.51766400 0.68820142 0.50000000 1.0 P P13 1 0.31179858 0.82946157 0.50000000 1.0 P P14 1 0.68820142 0.51766400 0.50000000 1.0 P P15 1 0.82946157 0.31179858 0.50000000 1.0 P P16 1 0.48233600 0.17053843 0.50000000 1.0 P P17 1 0.65137229 1.00000000 0.00000000 1.0 P P18 1 0.00000000 0.65137229 0.00000000 1.0 P P19 1 0.34862771 0.34862771 0.00000000 1.0 Ir Ir20 1 0.35841261 0.49486074 0.50000000 1.0 Ir Ir21 1 0.50513926 0.86355188 0.50000000 1.0 Ir Ir22 1 0.13644812 0.64158739 0.50000000 1.0 Ir Ir23 1 0.86355188 0.50513926 0.50000000 1.0 Ir Ir24 1 0.64158739 0.13644812 0.50000000 1.0 Ir Ir25 1 0.49486074 0.35841261 0.50000000 1.0 Ir Ir26 1 0.17815206 0.37059486 0.00000000 1.0 Ir Ir27 1 0.62940514 0.80755819 0.00000000 1.0 Ir Ir28 1 0.19244181 0.82184794 0.00000000 1.0 Ir Ir29 1 0.80755819 0.62940514 0.00000000 1.0 Ir Ir30 1 0.82184794 0.19244181 0.00000000 1.0 Ir Ir31 1 0.37059486 0.17815206 0.00000000 1.0 Ir Ir32 1 0.27896401 1.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.27896401 0.50000000 1.0 Ir Ir34 1 0.72103599 0.72103599 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0