# generated using pymatgen data_Hf9Re4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65926571 _cell_length_b 8.65926571 _cell_length_c 8.61600400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999779 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Re4Se _chemical_formula_sum 'Hf18 Re8 Se2' _cell_volume 559.49816402 _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 0.19146300 0.80853700 0.45148900 1.0 Hf Hf1 1 0.19146300 0.38292600 0.45148900 1.0 Hf Hf2 1 0.61707400 0.80853700 0.45148900 1.0 Hf Hf3 1 0.80853700 0.19146300 0.54851100 1.0 Hf Hf4 1 0.80853700 0.61707400 0.54851100 1.0 Hf Hf5 1 0.38292600 0.19146300 0.54851100 1.0 Hf Hf6 1 0.80853700 0.19146300 0.95148900 1.0 Hf Hf7 1 0.80853700 0.61707400 0.95148900 1.0 Hf Hf8 1 0.38292600 0.19146300 0.95148900 1.0 Hf Hf9 1 0.19146300 0.80853700 0.04851100 1.0 Hf Hf10 1 0.19146300 0.38292600 0.04851100 1.0 Hf Hf11 1 0.61707400 0.80853700 0.04851100 1.0 Hf Hf12 1 0.54391300 0.45608700 0.25000000 1.0 Hf Hf13 1 0.54391300 0.08782600 0.25000000 1.0 Hf Hf14 1 0.91217400 0.45608700 0.25000000 1.0 Hf Hf15 1 0.45608700 0.54391300 0.75000000 1.0 Hf Hf16 1 0.45608700 0.91217400 0.75000000 1.0 Hf Hf17 1 0.08782600 0.54391300 0.75000000 1.0 Re Re18 1 0.88948900 0.11051100 0.25000000 1.0 Re Re19 1 0.88948900 0.77897800 0.25000000 1.0 Re Re20 1 0.22102200 0.11051100 0.25000000 1.0 Re Re21 1 0.11051100 0.88948900 0.75000000 1.0 Re Re22 1 0.11051100 0.22102200 0.75000000 1.0 Re Re23 1 0.77897800 0.88948900 0.75000000 1.0 Re Re24 1 0.00000000 0.00000000 0.50000000 1.0 Re Re25 1 0.00000000 0.00000000 0.00000000 1.0 Se Se26 1 0.33333300 0.66666700 0.25000000 1.0 Se Se27 1 0.66666700 0.33333300 0.75000000 1.0