# generated using pymatgen data_LuZrV3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66325652 _cell_length_b 6.66243437 _cell_length_c 12.33622532 _cell_angle_alpha 90.09776198 _cell_angle_beta 89.93300478 _cell_angle_gamma 89.90034437 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuZrV3Si4 _chemical_formula_sum 'Lu4 Zr4 V12 Si16' _cell_volume 547.64633113 _cell_formula_units_Z 4 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 0.50004480 0.16362408 0.21913109 1.0 Lu Lu1 1 0.99988518 0.33734224 0.53045593 1.0 Lu Lu2 1 0.66301598 0.99972105 0.97031965 1.0 Lu Lu3 1 0.33809828 0.99956249 0.46929975 1.0 Zr Zr4 1 0.00511135 0.65901647 0.03000603 1.0 Zr Zr5 1 0.84050765 0.50571782 0.28125435 1.0 Zr Zr6 1 0.16115112 0.49628224 0.78074206 1.0 Zr Zr7 1 0.50430187 0.83886132 0.71958182 1.0 V V8 1 0.33025454 0.33627797 0.99929984 1.0 V V9 1 0.16394867 0.82983370 0.24937812 1.0 V V10 1 0.83505744 0.16559371 0.75083207 1.0 V V11 1 0.66807434 0.66737879 0.50087457 1.0 V V12 1 0.00390314 0.15951548 0.12513001 1.0 V V13 1 0.34010570 0.50755576 0.37553560 1.0 V V14 1 0.65819832 0.49552474 0.87563271 1.0 V V15 1 0.50731925 0.34268881 0.62558365 1.0 V V16 1 0.49050695 0.65827874 0.12296054 1.0 V V17 1 0.99362389 0.84038054 0.62819413 1.0 V V18 1 0.15721651 0.00663590 0.87339517 1.0 V V19 1 0.84069494 0.99011453 0.37344705 1.0 Si Si20 1 0.28749564 0.96013581 0.06335790 1.0 Si Si21 1 0.53917692 0.78851298 0.31318650 1.0 Si Si22 1 0.46048843 0.21027487 0.81451017 1.0 Si Si23 1 0.79086049 0.54009137 0.68636053 1.0 Si Si24 1 0.20794088 0.45984736 0.18546113 1.0 Si Si25 1 0.71059959 0.03924882 0.56421241 1.0 Si Si26 1 0.95896204 0.29129185 0.93560814 1.0 Si Si27 1 0.04000632 0.70978293 0.43691511 1.0 Si Si28 1 0.70534286 0.37751802 0.06888770 1.0 Si Si29 1 0.12282539 0.20366240 0.31657876 1.0 Si Si30 1 0.87509707 0.79262968 0.81975016 1.0 Si Si31 1 0.20668122 0.12478718 0.68263733 1.0 Si Si32 1 0.79702824 0.87071130 0.18061915 1.0 Si Si33 1 0.29797749 0.62749557 0.57067286 1.0 Si Si34 1 0.37155205 0.70463278 0.92865462 1.0 Si Si35 1 0.62694946 0.29947068 0.43153539 1.0