# generated using pymatgen data_LiV5(BO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05797100 _cell_length_b 9.51926800 _cell_length_c 12.53269300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiV5(BO5)2 _chemical_formula_sum 'Li2 V10 B4 O20' _cell_volume 364.82225021 _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 Li Li0 1 0.50000000 0.00000000 0.50000000 1.0 Li Li1 1 0.50000000 0.50000000 0.00000000 1.0 V V2 1 0.00000000 0.00000000 0.00000000 1.0 V V3 1 0.00000000 0.00604900 0.28590400 1.0 V V4 1 0.50000000 0.24798300 0.11178100 1.0 V V5 1 0.50000000 0.25201700 0.61178100 1.0 V V6 1 0.00000000 0.49395100 0.78590400 1.0 V V7 1 0.00000000 0.50000000 0.50000000 1.0 V V8 1 0.00000000 0.50604900 0.21409600 1.0 V V9 1 0.50000000 0.74798300 0.38821900 1.0 V V10 1 0.50000000 0.75201700 0.88821900 1.0 V V11 1 0.00000000 0.99395100 0.71409600 1.0 B B12 1 0.50000000 0.22364300 0.85862700 1.0 B B13 1 0.50000000 0.27635700 0.35862700 1.0 B B14 1 0.50000000 0.72364300 0.64137300 1.0 B B15 1 0.50000000 0.77635700 0.14137300 1.0 O O16 1 0.00000000 0.11187400 0.14452300 1.0 O O17 1 0.00000000 0.11774700 0.58087000 1.0 O O18 1 0.50000000 0.13105800 0.35447000 1.0 O O19 1 0.50000000 0.15314300 0.95585300 1.0 O O20 1 0.50000000 0.14544900 0.76437500 1.0 O O21 1 0.50000000 0.35455100 0.26437500 1.0 O O22 1 0.50000000 0.34685700 0.45585300 1.0 O O23 1 0.50000000 0.36894200 0.85447000 1.0 O O24 1 0.00000000 0.38225300 0.08087000 1.0 O O25 1 0.00000000 0.38812600 0.64452300 1.0 O O26 1 0.00000000 0.61187400 0.35547700 1.0 O O27 1 0.00000000 0.61774700 0.91913000 1.0 O O28 1 0.50000000 0.63105800 0.14553000 1.0 O O29 1 0.50000000 0.65314300 0.54414700 1.0 O O30 1 0.50000000 0.64544900 0.73562500 1.0 O O31 1 0.50000000 0.85455100 0.23562500 1.0 O O32 1 0.50000000 0.84685700 0.04414700 1.0 O O33 1 0.50000000 0.86894200 0.64553000 1.0 O O34 1 0.00000000 0.88225300 0.41913000 1.0 O O35 1 0.00000000 0.88812600 0.85547700 1.0