# generated using pymatgen data_Hf3Ti3BPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26332745 _cell_length_b 7.26332761 _cell_length_c 3.72349489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000371 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ti3BPb2 _chemical_formula_sum 'Hf3 Ti3 B1 Pb2' _cell_volume 170.11892717 _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 0.00000000 0.36350185 0.50000000 1.0 Hf Hf1 1 0.63649815 0.63649815 0.50000000 1.0 Hf Hf2 1 0.36350185 0.00000000 0.50000000 1.0 Ti Ti3 1 0.00000000 0.78709266 0.00000000 1.0 Ti Ti4 1 0.21290734 0.21290734 0.00000000 1.0 Ti Ti5 1 0.78709266 0.00000000 0.00000000 1.0 B B6 1 0.00000000 0.00000000 0.50000000 1.0 Pb Pb7 1 0.33333300 0.66666700 0.00000000 1.0 Pb Pb8 1 0.66666700 0.33333300 0.00000000 1.0