# generated using pymatgen data_Hf18BeRe8Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53809068 _cell_length_b 8.53809055 _cell_length_c 8.51967354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000049 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18BeRe8Ru _chemical_formula_sum 'Hf18 Be1 Re8 Ru1' _cell_volume 537.86725158 _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 Hf Hf0 1 0.19782371 0.80217629 0.44619092 1.0 Hf Hf1 1 0.19782371 0.39564641 0.44619092 1.0 Hf Hf2 1 0.60435359 0.80217629 0.44619092 1.0 Hf Hf3 1 0.80358445 0.19641555 0.55356538 1.0 Hf Hf4 1 0.80358445 0.60716891 0.55356538 1.0 Hf Hf5 1 0.39283109 0.19641555 0.55356538 1.0 Hf Hf6 1 0.80358445 0.19641555 0.94643462 1.0 Hf Hf7 1 0.80358445 0.60716891 0.94643462 1.0 Hf Hf8 1 0.39283109 0.19641555 0.94643462 1.0 Hf Hf9 1 0.19782371 0.80217629 0.05380908 1.0 Hf Hf10 1 0.19782371 0.39564641 0.05380908 1.0 Hf Hf11 1 0.60435359 0.80217629 0.05380908 1.0 Hf Hf12 1 0.54182838 0.45817162 0.25000000 1.0 Hf Hf13 1 0.54182838 0.08365676 0.25000000 1.0 Hf Hf14 1 0.91634324 0.45817162 0.25000000 1.0 Hf Hf15 1 0.46091629 0.53908371 0.75000000 1.0 Hf Hf16 1 0.46091629 0.92183159 0.75000000 1.0 Hf Hf17 1 0.07816841 0.53908371 0.75000000 1.0 Be Be18 1 0.66666700 0.33333300 0.75000000 1.0 Re Re19 1 0.88919410 0.11080590 0.25000000 1.0 Re Re20 1 0.88919410 0.77838620 0.25000000 1.0 Re Re21 1 0.22161380 0.11080590 0.25000000 1.0 Re Re22 1 0.11060284 0.88939716 0.75000000 1.0 Re Re23 1 0.11060284 0.22120767 0.75000000 1.0 Re Re24 1 0.77879233 0.88939716 0.75000000 1.0 Re Re25 1 0.00000000 0.00000000 0.49973162 1.0 Re Re26 1 0.00000000 0.00000000 0.00026838 1.0 Ru Ru27 1 0.33333300 0.66666700 0.25000000 1.0