# generated using pymatgen data_BaLiV2Ni3(HO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02816888 _cell_length_b 5.99824316 _cell_length_c 7.89940645 _cell_angle_alpha 65.89681737 _cell_angle_beta 68.11772615 _cell_angle_gamma 60.49878871 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiV2Ni3(HO5)2 _chemical_formula_sum 'Ba1 Li1 V2 Ni3 H2 O10' _cell_volume 221.56558116 _cell_formula_units_Z 1 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 Ba Ba0 1 0.09647900 0.46980100 0.49227900 1.0 Li Li1 1 0.52383900 0.79399000 0.64162500 1.0 V V2 1 0.58727400 0.10658700 0.74505600 1.0 V V3 1 0.42978000 0.91021700 0.24447100 1.0 Ni Ni4 1 0.00747000 0.02069900 0.99126900 1.0 Ni Ni5 1 0.00262200 0.50544700 0.00415900 1.0 Ni Ni6 1 0.51849400 0.50076100 0.99392800 1.0 H H7 1 0.19567200 0.76512000 0.72940400 1.0 H H8 1 0.73593900 0.22345200 0.28234700 1.0 O O9 1 0.22917100 0.24600700 0.83256500 1.0 O O10 1 0.74044300 0.26101100 0.79927700 1.0 O O11 1 0.77229400 0.77973900 0.17831000 1.0 O O12 1 0.29813700 0.77872700 0.16155400 1.0 O O13 1 0.72982400 0.73402300 0.82255000 1.0 O O14 1 0.29665600 0.26259400 0.17361500 1.0 O O15 1 0.33093200 0.80411200 0.48922800 1.0 O O16 1 0.59026600 0.13365700 0.51025100 1.0 O O17 1 0.21140100 0.73368500 0.85847300 1.0 O O18 1 0.79705600 0.28287300 0.14130600 1.0