# generated using pymatgen data_Li3Ti2(GeO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.54827948 _cell_length_b 10.54827948 _cell_length_c 10.54827948 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ti2(GeO4)3 _chemical_formula_sum 'Li12 Ti8 Ge12 O48' _cell_volume 903.48925917 _cell_formula_units_Z 4 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 0.75000000 0.62500000 0.87500000 1.0 Li Li1 1 0.25000000 0.87500000 0.62500000 1.0 Li Li2 1 0.62500000 0.25000000 0.87500000 1.0 Li Li3 1 0.87500000 0.75000000 0.62500000 1.0 Li Li4 1 0.87500000 0.62500000 0.25000000 1.0 Li Li5 1 0.62500000 0.87500000 0.75000000 1.0 Li Li6 1 0.25000000 0.37500000 0.12500000 1.0 Li Li7 1 0.75000000 0.12500000 0.37500000 1.0 Li Li8 1 0.37500000 0.75000000 0.12500000 1.0 Li Li9 1 0.12500000 0.25000000 0.37500000 1.0 Li Li10 1 0.12500000 0.37500000 0.75000000 1.0 Li Li11 1 0.37500000 0.12500000 0.25000000 1.0 Ti Ti12 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti13 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti14 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti15 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti16 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti17 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti18 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti19 1 0.50000000 0.00000000 0.00000000 1.0 Ge Ge20 1 0.37500000 0.62500000 0.75000000 1.0 Ge Ge21 1 0.62500000 0.37500000 0.25000000 1.0 Ge Ge22 1 0.62500000 0.75000000 0.37500000 1.0 Ge Ge23 1 0.25000000 0.12500000 0.87500000 1.0 Ge Ge24 1 0.87500000 0.25000000 0.12500000 1.0 Ge Ge25 1 0.75000000 0.37500000 0.62500000 1.0 Ge Ge26 1 0.25000000 0.62500000 0.37500000 1.0 Ge Ge27 1 0.75000000 0.87500000 0.12500000 1.0 Ge Ge28 1 0.12500000 0.75000000 0.87500000 1.0 Ge Ge29 1 0.37500000 0.25000000 0.62500000 1.0 Ge Ge30 1 0.87500000 0.12500000 0.75000000 1.0 Ge Ge31 1 0.12500000 0.87500000 0.25000000 1.0 O O32 1 0.51751500 0.39996600 0.81785100 1.0 O O33 1 0.81785100 0.51751500 0.39996600 1.0 O O34 1 0.80033600 0.88245100 0.98248500 1.0 O O35 1 0.41788500 0.10003400 0.61754900 1.0 O O36 1 0.88245100 0.39996600 0.08211500 1.0 O O37 1 0.68214900 0.08211500 0.69966400 1.0 O O38 1 0.81785100 0.80033600 0.41788500 1.0 O O39 1 0.39996600 0.81785100 0.51751500 1.0 O O40 1 0.61754900 0.69966400 0.51751500 1.0 O O41 1 0.41788500 0.81785100 0.80033600 1.0 O O42 1 0.39996600 0.08211500 0.88245100 1.0 O O43 1 0.10003400 0.98248500 0.68214900 1.0 O O44 1 0.98248500 0.68214900 0.10003400 1.0 O O45 1 0.80033600 0.41788500 0.81785100 1.0 O O46 1 0.51751500 0.61754900 0.69966400 1.0 O O47 1 0.69966400 0.51751500 0.61754900 1.0 O O48 1 0.08211500 0.88245100 0.39996600 1.0 O O49 1 0.98248500 0.80033600 0.88245100 1.0 O O50 1 0.08211500 0.69966400 0.68214900 1.0 O O51 1 0.38245100 0.30033600 0.48248500 1.0 O O52 1 0.61754900 0.41788500 0.10003400 1.0 O O53 1 0.10003400 0.61754900 0.41788500 1.0 O O54 1 0.69966400 0.68214900 0.08211500 1.0 O O55 1 0.68214900 0.10003400 0.98248500 1.0 O O56 1 0.48248500 0.60003400 0.18214900 1.0 O O57 1 0.18214900 0.48248500 0.60003400 1.0 O O58 1 0.19966400 0.11754900 0.01751500 1.0 O O59 1 0.58211500 0.89996600 0.38245100 1.0 O O60 1 0.11754900 0.60003400 0.91788500 1.0 O O61 1 0.31785100 0.91788500 0.30033600 1.0 O O62 1 0.18214900 0.19966400 0.58211500 1.0 O O63 1 0.60003400 0.18214900 0.48248500 1.0 O O64 1 0.31785100 0.89996600 0.01751500 1.0 O O65 1 0.30033600 0.31785100 0.91788500 1.0 O O66 1 0.89996600 0.38245100 0.58211500 1.0 O O67 1 0.11754900 0.01751500 0.19966400 1.0 O O68 1 0.38245100 0.58211500 0.89996600 1.0 O O69 1 0.91788500 0.30033600 0.31785100 1.0 O O70 1 0.01751500 0.19966400 0.11754900 1.0 O O71 1 0.91788500 0.11754900 0.60003400 1.0 O O72 1 0.30033600 0.48248500 0.38245100 1.0 O O73 1 0.48248500 0.38245100 0.30033600 1.0 O O74 1 0.19966400 0.58211500 0.18214900 1.0 O O75 1 0.01751500 0.31785100 0.89996600 1.0 O O76 1 0.89996600 0.01751500 0.31785100 1.0 O O77 1 0.60003400 0.91788500 0.11754900 1.0 O O78 1 0.58211500 0.18214900 0.19966400 1.0 O O79 1 0.88245100 0.98248500 0.80033600 1.0