# generated using pymatgen data_Hf2TiReSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49654994 _cell_length_b 6.84383183 _cell_length_c 8.16070791 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TiReSi2 _chemical_formula_sum 'Hf4 Ti2 Re2 Si4' _cell_volume 195.28410609 _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 0.25000000 0.54367977 0.16424175 1.0 Hf Hf1 1 0.25000000 0.04367977 0.33575825 1.0 Hf Hf2 1 0.75000000 0.46177664 0.83196928 1.0 Hf Hf3 1 0.75000000 0.96177664 0.66803072 1.0 Ti Ti4 1 0.25000000 0.62886521 0.56020318 1.0 Ti Ti5 1 0.25000000 0.12886521 0.93979682 1.0 Re Re6 1 0.75000000 0.36654511 0.43799260 1.0 Re Re7 1 0.75000000 0.86654511 0.06200740 1.0 Si Si8 1 0.25000000 0.75753984 0.86222876 1.0 Si Si9 1 0.25000000 0.25753984 0.63777124 1.0 Si Si10 1 0.75000000 0.24159442 0.14134838 1.0 Si Si11 1 0.75000000 0.74159442 0.35865162 1.0