# generated using pymatgen data_Yb6Hf2ReH27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70136202 _cell_length_b 8.70136254 _cell_length_c 5.00892396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000908 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb6Hf2ReH27 _chemical_formula_sum 'Yb6 Hf2 Re1 H27' _cell_volume 328.43507628 _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 Yb Yb0 1 0.99817809 0.25741263 0.50000000 1.0 Yb Yb1 1 0.74258737 0.74076546 0.50000000 1.0 Yb Yb2 1 0.25923454 0.00182191 0.50000000 1.0 Yb Yb3 1 0.93261149 0.59127420 0.00000000 1.0 Yb Yb4 1 0.40872580 0.34133728 0.00000000 1.0 Yb Yb5 1 0.65866272 0.06738851 0.00000000 1.0 Hf Hf6 1 0.66666700 0.33333300 0.50000000 1.0 Hf Hf7 1 0.00000000 0.00000000 0.00000000 1.0 Re Re8 1 0.33333300 0.66666700 0.50000000 1.0 H H9 1 0.82881210 0.33625533 0.77027380 1.0 H H10 1 0.66374467 0.49255478 0.77027380 1.0 H H11 1 0.50744522 0.17118790 0.77027380 1.0 H H12 1 0.19438912 0.53241397 0.25570984 1.0 H H13 1 0.50744522 0.17118790 0.22972620 1.0 H H14 1 0.82881210 0.33625533 0.22972620 1.0 H H15 1 0.66374467 0.49255478 0.22972620 1.0 H H16 1 0.33802285 0.80561088 0.74429016 1.0 H H17 1 0.46758603 0.66197715 0.74429016 1.0 H H18 1 0.23169028 0.01272315 0.00000000 1.0 H H19 1 0.78103387 0.76830972 0.00000000 1.0 H H20 1 0.98727685 0.21896613 0.00000000 1.0 H H21 1 0.83724006 0.99789017 0.26687568 1.0 H H22 1 0.16065010 0.16275994 0.73312432 1.0 H H23 1 0.00210983 0.83934990 0.73312432 1.0 H H24 1 0.00210983 0.83934990 0.26687568 1.0 H H25 1 0.16065010 0.16275994 0.26687568 1.0 H H26 1 0.83724006 0.99789017 0.73312432 1.0 H H27 1 0.14308258 0.66970434 0.50000000 1.0 H H28 1 0.52662076 0.85691742 0.50000000 1.0 H H29 1 0.33029566 0.47337924 0.50000000 1.0 H H30 1 0.43463113 0.31139344 0.50000000 1.0 H H31 1 0.87676331 0.56536887 0.50000000 1.0 H H32 1 0.68860656 0.12323669 0.50000000 1.0 H H33 1 0.19438912 0.53241397 0.74429016 1.0 H H34 1 0.33802285 0.80561088 0.25570984 1.0 H H35 1 0.46758603 0.66197715 0.25570984 1.0