# generated using pymatgen data_Ho16Mg(ZrIr4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.70941943 _cell_length_b 10.70941943 _cell_length_c 6.20343105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho16Mg(ZrIr4)3 _chemical_formula_sum 'Ho16 Mg1 Zr3 Ir12' _cell_volume 711.48183291 _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 0.28118355 0.08020382 0.37716703 1.0 Ho Ho1 1 0.28969894 0.91054836 0.87881574 1.0 Ho Ho2 1 0.71030106 0.08945164 0.87881574 1.0 Ho Ho3 1 0.71881645 0.91979618 0.37716703 1.0 Ho Ho4 1 0.58944333 0.79043958 0.87760717 1.0 Ho Ho5 1 0.58312151 0.20947210 0.37422936 1.0 Ho Ho6 1 0.41687849 0.79052790 0.37422936 1.0 Ho Ho7 1 0.41055667 0.20956042 0.87760717 1.0 Ho Ho8 1 0.20947210 0.41687849 0.62577064 1.0 Ho Ho9 1 0.20956042 0.58944333 0.12239283 1.0 Ho Ho10 1 0.79043958 0.41055667 0.12239283 1.0 Ho Ho11 1 0.79052790 0.58312151 0.62577064 1.0 Ho Ho12 1 0.91054836 0.71030106 0.12118426 1.0 Ho Ho13 1 0.91979618 0.28118355 0.62283297 1.0 Ho Ho14 1 0.08020382 0.71881645 0.62283297 1.0 Ho Ho15 1 0.08945164 0.28969894 0.12118426 1.0 Mg Mg16 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr17 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr18 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85398991 0.15296395 0.23857271 1.0 Ir Ir21 1 0.84703605 0.85398991 0.76142729 1.0 Ir Ir22 1 0.15296395 0.14601009 0.76142729 1.0 Ir Ir23 1 0.14601009 0.84703605 0.23857271 1.0 Ir Ir24 1 0.64449981 0.35444321 0.74694915 1.0 Ir Ir25 1 0.64555679 0.64449981 0.25305085 1.0 Ir Ir26 1 0.35444321 0.35550019 0.25305085 1.0 Ir Ir27 1 0.35550019 0.64555679 0.74694915 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12503036 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62150336 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87496964 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37849664 1.0