# generated using pymatgen data_Hf4TiV5Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45746320 _cell_length_b 6.60343135 _cell_length_c 12.48248900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.06118815 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4TiV5Si8 _chemical_formula_sum 'Hf8 Ti2 V10 Si16' _cell_volume 532.27068955 _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 0.99529806 0.17012292 0.09479747 1.0 Hf Hf1 1 0.00470194 0.82987708 0.90520253 1.0 Hf Hf2 1 0.50413028 0.67151962 0.90507359 1.0 Hf Hf3 1 0.00470194 0.82987708 0.59479747 1.0 Hf Hf4 1 0.49586972 0.32848038 0.09492641 1.0 Hf Hf5 1 0.99529806 0.17012292 0.40520253 1.0 Hf Hf6 1 0.49586972 0.32848038 0.40507359 1.0 Hf Hf7 1 0.50413028 0.67151962 0.59492641 1.0 Ti Ti8 1 0.16570306 0.49346832 0.75000000 1.0 Ti Ti9 1 0.83429694 0.50653168 0.25000000 1.0 V V10 1 0.33563148 0.99321989 0.25000000 1.0 V V11 1 0.66436852 0.00678011 0.75000000 1.0 V V12 1 0.33765663 0.17055022 0.62362178 1.0 V V13 1 0.66234337 0.82944978 0.37637822 1.0 V V14 1 0.16197193 0.67112921 0.37595185 1.0 V V15 1 0.66234337 0.82944978 0.12362178 1.0 V V16 1 0.83802807 0.32887079 0.62404815 1.0 V V17 1 0.33765663 0.17055022 0.87637822 1.0 V V18 1 0.83802807 0.32887079 0.87595185 1.0 V V19 1 0.16197193 0.67112921 0.12404815 1.0 Si Si20 1 0.03694969 0.12340843 0.75000000 1.0 Si Si21 1 0.96305031 0.87659157 0.25000000 1.0 Si Si22 1 0.45749749 0.62778517 0.25000000 1.0 Si Si23 1 0.54250251 0.37221483 0.75000000 1.0 Si Si24 1 0.30296046 0.87228950 0.75000000 1.0 Si Si25 1 0.69703954 0.12771050 0.25000000 1.0 Si Si26 1 0.20123136 0.36679136 0.25000000 1.0 Si Si27 1 0.79876864 0.63320864 0.75000000 1.0 Si Si28 1 0.16880030 0.45881200 0.53843882 1.0 Si Si29 1 0.83119970 0.54118800 0.46156118 1.0 Si Si30 1 0.33174902 0.95830984 0.45980569 1.0 Si Si31 1 0.83119970 0.54118800 0.03843882 1.0 Si Si32 1 0.66825098 0.04169016 0.54019431 1.0 Si Si33 1 0.16880030 0.45881200 0.96156118 1.0 Si Si34 1 0.66825098 0.04169016 0.95980569 1.0 Si Si35 1 0.33174902 0.95830984 0.04019431 1.0