# generated using pymatgen data_Ho3Hf(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97900884 _cell_length_b 11.13072301 _cell_length_c 12.83077282 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho3Hf(P3Ir4)2 _chemical_formula_sum 'Ho6 Hf2 P12 Ir16' _cell_volume 568.26524475 _cell_formula_units_Z 2 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 0.00000000 0.50000000 0.52386064 1.0 Ho Ho1 1 0.50000000 0.00000000 0.47613936 1.0 Ho Ho2 1 0.50000000 0.82162976 0.20401842 1.0 Ho Ho3 1 0.50000000 0.17837024 0.20401842 1.0 Ho Ho4 1 0.00000000 0.67837024 0.79598158 1.0 Ho Ho5 1 0.00000000 0.32162976 0.79598158 1.0 Hf Hf6 1 0.50000000 0.50000000 0.16026977 1.0 Hf Hf7 1 0.00000000 0.00000000 0.83973023 1.0 P P8 1 0.50000000 0.31417017 0.61735326 1.0 P P9 1 0.50000000 0.68582983 0.61735326 1.0 P P10 1 0.00000000 0.18582983 0.38264674 1.0 P P11 1 0.00000000 0.81417017 0.38264674 1.0 P P12 1 0.50000000 0.50000000 0.87550456 1.0 P P13 1 0.00000000 0.00000000 0.12449544 1.0 P P14 1 0.50000000 0.84143619 0.88599199 1.0 P P15 1 0.50000000 0.15856381 0.88599199 1.0 P P16 1 0.00000000 0.65856381 0.11400801 1.0 P P17 1 0.00000000 0.34143619 0.11400801 1.0 P P18 1 0.50000000 0.50000000 0.36159150 1.0 P P19 1 0.00000000 0.00000000 0.63840850 1.0 Ir Ir20 1 0.00000000 0.50000000 0.99561570 1.0 Ir Ir21 1 0.50000000 0.00000000 0.00438430 1.0 Ir Ir22 1 0.50000000 0.29791608 0.43373177 1.0 Ir Ir23 1 0.50000000 0.70208392 0.43373177 1.0 Ir Ir24 1 0.00000000 0.20208392 0.56626823 1.0 Ir Ir25 1 0.00000000 0.79791608 0.56626823 1.0 Ir Ir26 1 0.50000000 0.87068451 0.70918177 1.0 Ir Ir27 1 0.50000000 0.12931549 0.70918177 1.0 Ir Ir28 1 0.00000000 0.62931549 0.29081823 1.0 Ir Ir29 1 0.00000000 0.37068451 0.29081823 1.0 Ir Ir30 1 0.50000000 0.33130636 0.98076846 1.0 Ir Ir31 1 0.50000000 0.66869364 0.98076846 1.0 Ir Ir32 1 0.00000000 0.16869364 0.01923154 1.0 Ir Ir33 1 0.00000000 0.83130636 0.01923154 1.0 Ir Ir34 1 0.50000000 0.50000000 0.69838683 1.0 Ir Ir35 1 0.00000000 0.00000000 0.30161317 1.0