# generated using pymatgen data_Hf9TiGaRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61336298 _cell_length_b 8.61336347 _cell_length_c 8.57456248 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000191 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9TiGaRe3 _chemical_formula_sum 'Hf18 Ti2 Ga2 Re6' _cell_volume 550.91946428 _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 0.19526535 0.80473465 0.45353951 1.0 Hf Hf1 1 0.19526535 0.39052969 0.45353951 1.0 Hf Hf2 1 0.60947031 0.80473465 0.45353951 1.0 Hf Hf3 1 0.80473465 0.19526535 0.54646049 1.0 Hf Hf4 1 0.80473465 0.60947031 0.54646049 1.0 Hf Hf5 1 0.39052969 0.19526535 0.54646049 1.0 Hf Hf6 1 0.80473465 0.19526535 0.95353951 1.0 Hf Hf7 1 0.80473465 0.60947031 0.95353951 1.0 Hf Hf8 1 0.39052969 0.19526535 0.95353951 1.0 Hf Hf9 1 0.19526535 0.80473465 0.04646049 1.0 Hf Hf10 1 0.19526535 0.39052969 0.04646049 1.0 Hf Hf11 1 0.60947031 0.80473465 0.04646049 1.0 Hf Hf12 1 0.54000019 0.45999981 0.25000000 1.0 Hf Hf13 1 0.54000019 0.07999938 0.25000000 1.0 Hf Hf14 1 0.92000062 0.45999981 0.25000000 1.0 Hf Hf15 1 0.45999981 0.54000019 0.75000000 1.0 Hf Hf16 1 0.45999981 0.92000062 0.75000000 1.0 Hf Hf17 1 0.07999938 0.54000019 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 Ga Ga20 1 0.33333300 0.66666700 0.25000000 1.0 Ga Ga21 1 0.66666700 0.33333300 0.75000000 1.0 Re Re22 1 0.88775498 0.11224502 0.25000000 1.0 Re Re23 1 0.88775498 0.77550896 0.25000000 1.0 Re Re24 1 0.22449104 0.11224502 0.25000000 1.0 Re Re25 1 0.11224502 0.88775498 0.75000000 1.0 Re Re26 1 0.11224502 0.22449104 0.75000000 1.0 Re Re27 1 0.77550896 0.88775498 0.75000000 1.0