# generated using pymatgen data_Li3Ti(NiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92339089 _cell_length_b 12.97502698 _cell_length_c 5.90350576 _cell_angle_alpha 103.10398959 _cell_angle_beta 90.02280553 _cell_angle_gamma 89.99370819 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ti(NiO3)2 _chemical_formula_sum 'Li6 Ti2 Ni4 O12' _cell_volume 218.09530558 _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 0.00000000 0.66662400 0.83331400 1.0 Li Li1 1 0.50000000 0.16665900 0.33334000 1.0 Li Li2 1 0.00000900 0.99410200 0.49006400 1.0 Li Li3 1 0.50000800 0.49413900 0.98998500 1.0 Li Li4 1 0.99999200 0.33924800 0.17660700 1.0 Li Li5 1 0.49999200 0.83920700 0.67662200 1.0 Ti Ti6 1 0.00000000 0.66665200 0.33334200 1.0 Ti Ti7 1 0.50000000 0.16668500 0.83333100 1.0 Ni Ni8 1 0.49995900 0.49784700 0.50269100 1.0 Ni Ni9 1 0.50003900 0.83545200 0.16397100 1.0 Ni Ni10 1 0.99996200 0.99790700 0.00270100 1.0 Ni Ni11 1 0.00003900 0.33547200 0.66400900 1.0 O O12 1 0.00018500 0.50984400 0.26659600 1.0 O O13 1 0.50018800 0.00983500 0.76661800 1.0 O O14 1 0.99981200 0.82347400 0.40005400 1.0 O O15 1 0.49981400 0.32349800 0.90002900 1.0 O O16 1 0.00019700 0.83427700 0.93275300 1.0 O O17 1 0.50019600 0.33428500 0.43277300 1.0 O O18 1 0.99980500 0.49904500 0.73396100 1.0 O O19 1 0.49980100 0.99905600 0.23390700 1.0 O O20 1 0.99997900 0.16418400 0.60540700 1.0 O O21 1 0.49997900 0.66415800 0.10536700 1.0 O O22 1 0.00002100 0.16918900 0.06128000 1.0 O O23 1 0.50002300 0.66916600 0.56129000 1.0