# generated using pymatgen data_Hf9TiRe3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47414475 _cell_length_b 8.47414440 _cell_length_c 8.43227883 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999750 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9TiRe3B _chemical_formula_sum 'Hf18 Ti2 Re6 B2' _cell_volume 524.40562281 _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 0.20192312 0.79807688 0.44433721 1.0 Hf Hf1 1 0.20192312 0.40384624 0.44433721 1.0 Hf Hf2 1 0.59615376 0.79807688 0.44433721 1.0 Hf Hf3 1 0.79807688 0.20192312 0.55566279 1.0 Hf Hf4 1 0.79807688 0.59615376 0.55566279 1.0 Hf Hf5 1 0.40384624 0.20192312 0.55566279 1.0 Hf Hf6 1 0.79807688 0.20192312 0.94433721 1.0 Hf Hf7 1 0.79807688 0.59615376 0.94433721 1.0 Hf Hf8 1 0.40384624 0.20192312 0.94433721 1.0 Hf Hf9 1 0.20192312 0.79807688 0.05566279 1.0 Hf Hf10 1 0.20192312 0.40384624 0.05566279 1.0 Hf Hf11 1 0.59615376 0.79807688 0.05566279 1.0 Hf Hf12 1 0.54145238 0.45854762 0.25000000 1.0 Hf Hf13 1 0.54145238 0.08290477 0.25000000 1.0 Hf Hf14 1 0.91709523 0.45854762 0.25000000 1.0 Hf Hf15 1 0.45854762 0.54145238 0.75000000 1.0 Hf Hf16 1 0.45854762 0.91709523 0.75000000 1.0 Hf Hf17 1 0.08290477 0.54145238 0.75000000 1.0 Ti Ti18 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti19 1 0.00000000 0.00000000 0.00000000 1.0 Re Re20 1 0.88692605 0.11307395 0.25000000 1.0 Re Re21 1 0.88692605 0.77385311 0.25000000 1.0 Re Re22 1 0.22614689 0.11307395 0.25000000 1.0 Re Re23 1 0.11307395 0.88692605 0.75000000 1.0 Re Re24 1 0.11307395 0.22614689 0.75000000 1.0 Re Re25 1 0.77385311 0.88692605 0.75000000 1.0 B B26 1 0.33333300 0.66666700 0.25000000 1.0 B B27 1 0.66666700 0.33333300 0.75000000 1.0