# generated using pymatgen data_Li5Ta12O32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78348200 _cell_length_b 8.98277400 _cell_length_c 16.97288100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Ta12O32 _chemical_formula_sum 'Li10 Ta24 O64' _cell_volume 1186.69732940 _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 0.46785400 0.75493900 1.0 Li Li1 1 0.50000000 0.92093300 0.84031300 1.0 Li Li2 1 0.00000000 0.68226400 0.00000000 1.0 Li Li3 1 0.50000000 0.92093300 0.15968700 1.0 Li Li4 1 0.00000000 0.46785400 0.24506100 1.0 Li Li5 1 0.50000000 0.53214600 0.25493900 1.0 Li Li6 1 0.00000000 0.07906700 0.34031300 1.0 Li Li7 1 0.50000000 0.31773600 0.50000000 1.0 Li Li8 1 0.00000000 0.07906700 0.65968700 1.0 Li Li9 1 0.50000000 0.53214600 0.74506100 1.0 Ta Ta10 1 0.25138100 0.18998400 0.81002600 1.0 Ta Ta11 1 0.74861900 0.18998400 0.81002600 1.0 Ta Ta12 1 0.74649400 0.60706400 0.88043700 1.0 Ta Ta13 1 0.25350600 0.60706400 0.88043700 1.0 Ta Ta14 1 0.24801700 0.31504400 0.00000000 1.0 Ta Ta15 1 0.74805700 0.94944700 0.00000000 1.0 Ta Ta16 1 0.25194300 0.94944700 0.00000000 1.0 Ta Ta17 1 0.75198300 0.31504400 0.00000000 1.0 Ta Ta18 1 0.74649400 0.60706400 0.11956300 1.0 Ta Ta19 1 0.25350600 0.60706400 0.11956300 1.0 Ta Ta20 1 0.25138100 0.18998400 0.18997400 1.0 Ta Ta21 1 0.74861900 0.18998400 0.18997400 1.0 Ta Ta22 1 0.75138100 0.81001600 0.31002600 1.0 Ta Ta23 1 0.24861900 0.81001600 0.31002600 1.0 Ta Ta24 1 0.24649400 0.39293600 0.38043700 1.0 Ta Ta25 1 0.75350600 0.39293600 0.38043700 1.0 Ta Ta26 1 0.74801700 0.68495600 0.50000000 1.0 Ta Ta27 1 0.25198300 0.68495600 0.50000000 1.0 Ta Ta28 1 0.24805700 0.05055300 0.50000000 1.0 Ta Ta29 1 0.75194300 0.05055300 0.50000000 1.0 Ta Ta30 1 0.24649400 0.39293600 0.61956300 1.0 Ta Ta31 1 0.75350600 0.39293600 0.61956300 1.0 Ta Ta32 1 0.75138100 0.81001600 0.68997400 1.0 Ta Ta33 1 0.24861900 0.81001600 0.68997400 1.0 O O34 1 0.75000000 0.00000000 0.75000000 1.0 O O35 1 0.25000000 0.00000000 0.75000000 1.0 O O36 1 0.78898000 0.65287700 0.76943200 1.0 O O37 1 0.21102000 0.65287700 0.76943200 1.0 O O38 1 0.00000000 0.20723300 0.79010100 1.0 O O39 1 0.50000000 0.15704400 0.82320600 1.0 O O40 1 0.50000000 0.58604800 0.85670800 1.0 O O41 1 0.75673500 0.38253800 0.88180400 1.0 O O42 1 0.24326500 0.38253800 0.88180400 1.0 O O43 1 0.00000000 0.61460900 0.89427600 1.0 O O44 1 0.29027900 0.81387200 0.91135800 1.0 O O45 1 0.70972100 0.81387200 0.91135800 1.0 O O46 1 0.77678200 0.12465000 0.92420800 1.0 O O47 1 0.22321800 0.12465000 0.92420800 1.0 O O48 1 0.73318600 0.55191100 0.00000000 1.0 O O49 1 0.00000000 0.32946800 0.00000000 1.0 O O50 1 0.26681400 0.55191100 0.00000000 1.0 O O51 1 0.50000000 0.98405600 0.00000000 1.0 O O52 1 0.50000000 0.30365500 0.00000000 1.0 O O53 1 0.00000000 0.90154000 0.00000000 1.0 O O54 1 0.77678200 0.12465000 0.07579200 1.0 O O55 1 0.22321800 0.12465000 0.07579200 1.0 O O56 1 0.29027900 0.81387200 0.08864200 1.0 O O57 1 0.70972100 0.81387200 0.08864200 1.0 O O58 1 0.00000000 0.61460900 0.10572400 1.0 O O59 1 0.75673500 0.38253800 0.11819600 1.0 O O60 1 0.24326500 0.38253800 0.11819600 1.0 O O61 1 0.50000000 0.58604800 0.14329200 1.0 O O62 1 0.50000000 0.15704400 0.17679400 1.0 O O63 1 0.00000000 0.20723300 0.20989900 1.0 O O64 1 0.78898000 0.65287700 0.23056800 1.0 O O65 1 0.21102000 0.65287700 0.23056800 1.0 O O66 1 0.75000000 0.00000000 0.25000000 1.0 O O67 1 0.25000000 0.00000000 0.25000000 1.0 O O68 1 0.28898000 0.34712300 0.26943200 1.0 O O69 1 0.71102000 0.34712300 0.26943200 1.0 O O70 1 0.50000000 0.79276700 0.29010100 1.0 O O71 1 0.00000000 0.84295600 0.32320600 1.0 O O72 1 0.00000000 0.41395200 0.35670800 1.0 O O73 1 0.25673500 0.61746200 0.38180400 1.0 O O74 1 0.74326500 0.61746200 0.38180400 1.0 O O75 1 0.50000000 0.38539100 0.39427600 1.0 O O76 1 0.79027900 0.18612800 0.41135800 1.0 O O77 1 0.20972100 0.18612800 0.41135800 1.0 O O78 1 0.27678200 0.87535000 0.42420800 1.0 O O79 1 0.72321800 0.87535000 0.42420800 1.0 O O80 1 0.00000000 0.69634500 0.50000000 1.0 O O81 1 0.00000000 0.01594400 0.50000000 1.0 O O82 1 0.23318600 0.44808900 0.50000000 1.0 O O83 1 0.50000000 0.67053200 0.50000000 1.0 O O84 1 0.50000000 0.09846000 0.50000000 1.0 O O85 1 0.76681400 0.44808900 0.50000000 1.0 O O86 1 0.27678200 0.87535000 0.57579200 1.0 O O87 1 0.72321800 0.87535000 0.57579200 1.0 O O88 1 0.79027900 0.18612800 0.58864200 1.0 O O89 1 0.20972100 0.18612800 0.58864200 1.0 O O90 1 0.50000000 0.38539100 0.60572400 1.0 O O91 1 0.25673500 0.61746200 0.61819600 1.0 O O92 1 0.74326500 0.61746200 0.61819600 1.0 O O93 1 0.00000000 0.41395200 0.64329200 1.0 O O94 1 0.00000000 0.84295600 0.67679400 1.0 O O95 1 0.50000000 0.79276700 0.70989900 1.0 O O96 1 0.28898000 0.34712300 0.73056800 1.0 O O97 1 0.71102000 0.34712300 0.73056800 1.0