# generated using pymatgen data_Li2Ni3(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06152100 _cell_length_b 8.10223769 _cell_length_c 8.10377905 _cell_angle_alpha 119.92987344 _cell_angle_beta 90.08917715 _cell_angle_gamma 90.07891907 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ni3(BO3)3 _chemical_formula_sum 'Li4 Ni6 B6 O18' _cell_volume 344.91287531 _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 0.25497000 0.69737300 0.72300500 1.0 Li Li1 1 0.74967900 0.27606200 0.97601500 1.0 Li Li2 1 0.75455300 0.02503100 0.30053700 1.0 Li Li3 1 0.25173500 0.02410200 0.30002100 1.0 Ni Ni4 1 0.99797000 0.98366900 0.62040000 1.0 Ni Ni5 1 0.49816200 0.98412000 0.62408000 1.0 Ni Ni6 1 0.00211900 0.38532700 0.36781200 1.0 Ni Ni7 1 0.50471100 0.38493600 0.36827600 1.0 Ni Ni8 1 0.00244200 0.62686800 0.00892100 1.0 Ni Ni9 1 0.50095200 0.62668400 0.01134700 1.0 B B10 1 0.25097600 0.33153200 0.66579700 1.0 B B11 1 0.74969600 0.33065400 0.66330500 1.0 B B12 1 0.00283300 0.00029200 0.00211200 1.0 B B13 1 0.50151000 0.00028300 0.00620500 1.0 B B14 1 0.75170300 0.66801500 0.32852200 1.0 B B15 1 0.25133000 0.66704100 0.33708300 1.0 O O16 1 0.48979000 0.80413800 0.91168900 1.0 O O17 1 0.01930500 0.80443200 0.90898600 1.0 O O18 1 0.24770200 0.78378800 0.53524800 1.0 O O19 1 0.74792600 0.78402700 0.52326600 1.0 O O20 1 0.25125700 0.45416100 0.85936500 1.0 O O21 1 0.75004600 0.44585700 0.85910700 1.0 O O22 1 0.98433200 0.08941600 0.89659800 1.0 O O23 1 0.51252800 0.09048700 0.90102200 1.0 O O24 1 0.75500300 0.74753600 0.20991200 1.0 O O25 1 0.25219400 0.74754200 0.22001600 1.0 O O26 1 0.25393400 0.41103400 0.54847600 1.0 O O27 1 0.75405400 0.40204900 0.54121200 1.0 O O28 1 0.74594400 0.13399900 0.58570300 1.0 O O29 1 0.24789300 0.13584200 0.58640400 1.0 O O30 1 0.75213900 0.47049700 0.24787100 1.0 O O31 1 0.25387500 0.47218600 0.25916800 1.0 O O32 1 0.00311600 0.10171900 0.19942800 1.0 O O33 1 0.50339900 0.10099800 0.20324300 1.0