# generated using pymatgen data_Hf4Co7P6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.09053982 _cell_length_b 12.03871254 _cell_length_c 3.62134104 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.14770971 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Co7P6Ru _chemical_formula_sum 'Hf8 Co14 P12 Ru2' _cell_volume 455.80328953 _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 Hf Hf0 1 0.44759954 0.44440182 0.00000000 1.0 Hf Hf1 1 0.55841353 0.00247571 0.00000000 1.0 Hf Hf2 1 0.99320568 0.55319099 0.00000000 1.0 Hf Hf3 1 0.66630475 0.33322717 0.00000000 1.0 Hf Hf4 1 0.33573055 0.66539251 0.00000000 1.0 Hf Hf5 1 0.82672971 0.82779111 0.50000000 1.0 Hf Hf6 1 0.17336035 0.99860588 0.50000000 1.0 Hf Hf7 1 0.00274143 0.17433293 0.50000000 1.0 Co Co8 1 0.19786063 0.36536851 0.00000000 1.0 Co Co9 1 0.16734624 0.80514194 0.00000000 1.0 Co Co10 1 0.81990292 0.63040183 0.00000000 1.0 Co Co11 1 0.80913974 0.17822403 0.00000000 1.0 Co Co12 1 0.37124512 0.19242615 0.00000000 1.0 Co Co13 1 0.52259097 0.64727418 0.50000000 1.0 Co Co14 1 0.64491849 0.51753841 0.50000000 1.0 Co Co15 1 0.86340811 0.35556218 0.50000000 1.0 Co Co16 1 0.49143122 0.13579746 0.50000000 1.0 Co Co17 1 0.99959074 0.00061149 0.00000000 1.0 Co Co18 1 0.72358699 0.00149087 0.50000000 1.0 Co Co19 1 0.99372510 0.71963451 0.50000000 1.0 Co Co20 1 0.63228896 0.82475128 0.00000000 1.0 Co Co21 1 0.28206154 0.27754432 0.50000000 1.0 P P22 1 0.65600907 0.65745108 0.00000000 1.0 P P23 1 0.34266709 0.00014616 0.00000000 1.0 P P24 1 0.00052370 0.34189444 0.00000000 1.0 P P25 1 0.48386217 0.30985387 0.50000000 1.0 P P26 1 0.69182290 0.17331275 0.50000000 1.0 P P27 1 0.82350630 0.51785162 0.50000000 1.0 P P28 1 0.52093499 0.82751070 0.50000000 1.0 P P29 1 0.16513839 0.68715903 0.50000000 1.0 P P30 1 0.82690081 0.00134735 0.00000000 1.0 P P31 1 0.99737636 0.82608748 0.00000000 1.0 P P32 1 0.31626376 0.48326480 0.50000000 1.0 P P33 1 0.17561671 0.17279463 0.00000000 1.0 Ru Ru34 1 0.12319459 0.47443872 0.50000000 1.0 Ru Ru35 1 0.35299988 0.87570008 0.50000000 1.0