# generated using pymatgen data_Lu3Hf(V3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67791859 _cell_length_b 6.67745117 _cell_length_c 12.36510655 _cell_angle_alpha 90.08069025 _cell_angle_beta 89.86918081 _cell_angle_gamma 90.01304188 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Hf(V3Si4)2 _chemical_formula_sum 'Lu6 Hf2 V12 Si16' _cell_volume 551.37634543 _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 Lu Lu0 1 0.16302974 0.49978468 0.78011053 1.0 Lu Lu1 1 0.50135501 0.83767728 0.71993019 1.0 Lu Lu2 1 0.50027912 0.16323756 0.21938856 1.0 Lu Lu3 1 0.00010838 0.33702781 0.52991436 1.0 Lu Lu4 1 0.66311518 0.00074144 0.97113972 1.0 Lu Lu5 1 0.33820656 0.99958967 0.46812271 1.0 Hf Hf6 1 0.00609918 0.65875068 0.03126987 1.0 Hf Hf7 1 0.84103542 0.50632440 0.28050494 1.0 V V8 1 0.32873530 0.33567570 0.00126971 1.0 V V9 1 0.16463968 0.82791548 0.24908669 1.0 V V10 1 0.83190053 0.16895855 0.75136330 1.0 V V11 1 0.67079659 0.66829314 0.49884298 1.0 V V12 1 0.00319262 0.15962361 0.12605198 1.0 V V13 1 0.34131474 0.50602784 0.37364209 1.0 V V14 1 0.65882178 0.49468412 0.87818539 1.0 V V15 1 0.50981793 0.34180889 0.62371522 1.0 V V16 1 0.49040927 0.65678822 0.12443197 1.0 V V17 1 0.99175672 0.84047646 0.62547433 1.0 V V18 1 0.15536180 0.00786580 0.87610609 1.0 V V19 1 0.84137923 0.98860402 0.37222875 1.0 Si Si20 1 0.28663117 0.95918825 0.06454440 1.0 Si Si21 1 0.54169940 0.78742557 0.31292655 1.0 Si Si22 1 0.46014692 0.21080385 0.81474908 1.0 Si Si23 1 0.79069608 0.54009305 0.68663212 1.0 Si Si24 1 0.20614699 0.45878847 0.18560313 1.0 Si Si25 1 0.71043272 0.04023755 0.56326212 1.0 Si Si26 1 0.95881148 0.29364174 0.93674007 1.0 Si Si27 1 0.04088097 0.70847699 0.43510502 1.0 Si Si28 1 0.70647726 0.37772256 0.07039671 1.0 Si Si29 1 0.12213791 0.20410002 0.31645106 1.0 Si Si30 1 0.87383817 0.79673252 0.81979154 1.0 Si Si31 1 0.20176840 0.12527011 0.68365726 1.0 Si Si32 1 0.79814226 0.86835655 0.18009908 1.0 Si Si33 1 0.30004250 0.62554600 0.56566283 1.0 Si Si34 1 0.37131843 0.70381894 0.93346768 1.0 Si Si35 1 0.62947957 0.29994046 0.43013298 1.0