# generated using pymatgen data_Hf18Re8RuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57917290 _cell_length_b 8.57917329 _cell_length_c 8.56896919 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000229 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18Re8RuSe _chemical_formula_sum 'Hf18 Re8 Ru1 Se1' _cell_volume 546.19794699 _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 0.19678338 0.80321662 0.44473435 1.0 Hf Hf1 1 0.19678338 0.39356577 0.44473435 1.0 Hf Hf2 1 0.60643423 0.80321662 0.44473435 1.0 Hf Hf3 1 0.80876873 0.19123127 0.54794017 1.0 Hf Hf4 1 0.80876873 0.61753746 0.54794017 1.0 Hf Hf5 1 0.38246254 0.19123127 0.54794017 1.0 Hf Hf6 1 0.80876873 0.19123127 0.95205983 1.0 Hf Hf7 1 0.80876873 0.61753746 0.95205983 1.0 Hf Hf8 1 0.38246254 0.19123127 0.95205983 1.0 Hf Hf9 1 0.19678338 0.80321662 0.05526565 1.0 Hf Hf10 1 0.19678338 0.39356577 0.05526565 1.0 Hf Hf11 1 0.60643423 0.80321662 0.05526565 1.0 Hf Hf12 1 0.54213896 0.45786104 0.25000000 1.0 Hf Hf13 1 0.54213896 0.08427892 0.25000000 1.0 Hf Hf14 1 0.91572108 0.45786104 0.25000000 1.0 Hf Hf15 1 0.45541397 0.54458603 0.75000000 1.0 Hf Hf16 1 0.45541397 0.91082694 0.75000000 1.0 Hf Hf17 1 0.08917306 0.54458603 0.75000000 1.0 Re Re18 1 0.88941718 0.11058282 0.25000000 1.0 Re Re19 1 0.88941718 0.77883435 0.25000000 1.0 Re Re20 1 0.22116565 0.11058282 0.25000000 1.0 Re Re21 1 0.11021862 0.88978138 0.75000000 1.0 Re Re22 1 0.11021862 0.22043724 0.75000000 1.0 Re Re23 1 0.77956276 0.88978138 0.75000000 1.0 Re Re24 1 0.00000000 0.00000000 0.49893633 1.0 Re Re25 1 0.00000000 0.00000000 0.00106367 1.0 Ru Ru26 1 0.33333300 0.66666700 0.25000000 1.0 Se Se27 1 0.66666700 0.33333300 0.75000000 1.0