# generated using pymatgen data_Lu6Al43V4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.82988726 _cell_length_b 10.82987888 _cell_length_c 17.45261769 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99996903 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu6Al43V4 _chemical_formula_sum 'Lu12 Al86 V8' _cell_volume 1772.71482927 _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 0.53141769 0.00000009 0.59596032 1.0 Lu Lu1 1 0.46858231 -0.00000009 0.40403968 1.0 Lu Lu2 1 0.00000000 0.53141449 0.59595907 1.0 Lu Lu3 1 0.46858231 -0.00000009 0.09596032 1.0 Lu Lu4 1 0.00000000 0.53141449 0.90404093 1.0 Lu Lu5 1 1.00000000 0.46858551 0.40404093 1.0 Lu Lu6 1 0.53141769 0.00000009 0.90403968 1.0 Lu Lu7 1 1.00000000 0.46858551 0.09595907 1.0 Lu Lu8 1 0.46858231 0.46858240 0.59596032 1.0 Lu Lu9 1 0.53141769 0.53141760 0.40403968 1.0 Lu Lu10 1 0.53141769 0.53141760 0.09596032 1.0 Lu Lu11 1 0.46858231 0.46858240 0.90403968 1.0 Al Al12 1 0.14746761 0.59815220 0.75000000 1.0 Al Al13 1 0.85253239 0.40184780 0.25000000 1.0 Al Al14 1 0.40185197 0.54931712 0.75000000 1.0 Al Al15 1 0.59814803 0.14746515 0.75000000 1.0 Al Al16 1 0.59814803 0.45068288 0.25000000 1.0 Al Al17 1 0.40185197 0.85253485 0.25000000 1.0 Al Al18 1 0.45067540 0.85252829 0.75000000 1.0 Al Al19 1 0.54932460 0.40185289 0.75000000 1.0 Al Al20 1 0.54932460 0.14747171 0.25000000 1.0 Al Al21 1 0.45067540 0.59814711 0.25000000 1.0 Al Al22 1 0.85253239 0.45068458 0.75000000 1.0 Al Al23 1 0.14746761 0.54931542 0.25000000 1.0 Al Al24 1 0.15642084 0.00000458 0.11569787 1.0 Al Al25 1 0.84357916 -0.00000458 0.88430213 1.0 Al Al26 1 1.00000000 0.15642710 0.11570257 1.0 Al Al27 1 0.84357916 -0.00000458 0.61569787 1.0 Al Al28 1 1.00000000 0.15642710 0.38429743 1.0 Al Al29 1 0.00000000 0.84357290 0.88429743 1.0 Al Al30 1 0.15642084 0.00000458 0.38430213 1.0 Al Al31 1 0.00000000 0.84357290 0.61570257 1.0 Al Al32 1 0.84357916 0.84358374 0.11569787 1.0 Al Al33 1 0.15642084 0.15641626 0.88430213 1.0 Al Al34 1 0.15642084 0.15641626 0.61569787 1.0 Al Al35 1 0.84357916 0.84358374 0.38430213 1.0 Al Al36 1 0.24717668 0.49435045 0.49999899 1.0 Al Al37 1 0.75282332 0.50564955 0.50000101 1.0 Al Al38 1 0.50564997 0.75282498 0.50000000 1.0 Al Al39 1 0.75282332 0.50564955 0.99999899 1.0 Al Al40 1 0.49435003 0.24717502 -0.00000000 1.0 Al Al41 1 0.49435003 0.24717502 0.50000000 1.0 Al Al42 1 0.24717668 0.49435045 0.00000101 1.0 Al Al43 1 0.50564997 0.75282498 0.00000000 1.0 Al Al44 1 0.24717668 0.75282623 0.50000101 1.0 Al Al45 1 0.75282332 0.24717377 0.49999899 1.0 Al Al46 1 0.75282332 0.24717377 0.00000101 1.0 Al Al47 1 0.24717668 0.75282623 0.99999899 1.0 Al Al48 1 0.14705457 -0.00000042 0.75000000 1.0 Al Al49 1 0.85294543 0.00000042 0.25000000 1.0 Al Al50 1 0.00000000 0.14705392 0.75000000 1.0 Al Al51 1 -0.00000000 0.85294608 0.25000000 1.0 Al Al52 1 0.85294543 0.85294501 0.75000000 1.0 Al Al53 1 0.14705457 0.14705499 0.25000000 1.0 Al Al54 1 0.33333396 0.66666484 0.62611545 1.0 Al Al55 1 0.66666604 0.33333516 0.37388455 1.0 Al Al56 1 0.66666604 0.33333516 0.12611545 1.0 Al Al57 1 0.66666604 0.33332988 0.87388455 1.0 Al Al58 1 0.33333396 0.66666484 0.87388455 1.0 Al Al59 1 0.33333396 0.66667012 0.12611545 1.0 Al Al60 1 0.33333396 0.66667012 0.37388455 1.0 Al Al61 1 0.66666604 0.33332988 0.62611545 1.0 Al Al62 1 0.25250137 0.00000115 0.52964325 1.0 Al Al63 1 0.74749863 0.99999885 0.47035675 1.0 Al Al64 1 0.00000000 0.25249975 0.52964403 1.0 Al Al65 1 0.74749863 0.99999885 0.02964325 1.0 Al Al66 1 0.00000000 0.25249975 0.97035597 1.0 Al Al67 1 1.00000000 0.74750025 0.47035597 1.0 Al Al68 1 0.25250137 0.00000115 0.97035675 1.0 Al Al69 1 1.00000000 0.74750025 0.02964403 1.0 Al Al70 1 0.74749863 0.74749978 0.52964325 1.0 Al Al71 1 0.25250137 0.25250022 0.47035675 1.0 Al Al72 1 0.25250137 0.25250022 0.02964325 1.0 Al Al73 1 0.74749863 0.74749978 0.97035675 1.0 Al Al74 1 0.15822454 0.39279237 0.66412871 1.0 Al Al75 1 0.84177546 0.60720763 0.33587129 1.0 Al Al76 1 0.60720646 0.76542210 0.66412426 1.0 Al Al77 1 0.84177546 0.60720763 0.16412871 1.0 Al Al78 1 0.39279354 0.15821663 0.83587574 1.0 Al Al79 1 0.39279354 0.23457790 0.33587574 1.0 Al Al80 1 0.15822454 0.39279237 0.83587129 1.0 Al Al81 1 0.60720646 0.84178337 0.16412426 1.0 Al Al82 1 0.23457319 0.84177684 0.66412837 1.0 Al Al83 1 0.39279354 0.23457790 0.16412426 1.0 Al Al84 1 0.76542681 0.60720465 0.83587163 1.0 Al Al85 1 0.76542681 0.15822316 0.33587163 1.0 Al Al86 1 0.60720646 0.76542210 0.83587574 1.0 Al Al87 1 0.23457319 0.39279535 0.16412837 1.0 Al Al88 1 0.60720646 0.84178337 0.33587574 1.0 Al Al89 1 0.39279354 0.15821663 0.66412426 1.0 Al Al90 1 0.76542681 0.15822316 0.16412837 1.0 Al Al91 1 0.23457319 0.39279535 0.33587163 1.0 Al Al92 1 0.23457319 0.84177684 0.83587163 1.0 Al Al93 1 0.76542681 0.60720465 0.66412837 1.0 Al Al94 1 0.84177546 0.23456884 0.83587129 1.0 Al Al95 1 0.15822454 0.76543116 0.16412871 1.0 Al Al96 1 0.15822454 0.76543116 0.33587129 1.0 Al Al97 1 0.84177546 0.23456884 0.66412871 1.0 V V98 1 0.00000000 -0.00000000 0.50000000 1.0 V V99 1 0.00000000 -0.00000000 0.00000000 1.0 V V100 1 0.73014305 -0.00000246 0.75000000 1.0 V V101 1 0.26985695 0.00000246 0.25000000 1.0 V V102 1 1.00000000 0.73014391 0.75000000 1.0 V V103 1 0.00000000 0.26985609 0.25000000 1.0 V V104 1 0.26985695 0.26985449 0.75000000 1.0 V V105 1 0.73014305 0.73014551 0.25000000 1.0