# generated using pymatgen data_LiMg2Ta7B20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10954829 _cell_length_b 6.97543118 _cell_length_c 7.39772838 _cell_angle_alpha 94.49142343 _cell_angle_beta 101.92732152 _cell_angle_gamma 115.98213623 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg2Ta7B20 _chemical_formula_sum 'Li1 Mg2 Ta7 B20' _cell_volume 272.12688487 _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 Li Li0 1 0.99882289 0.99730704 0.99702264 1.0 Mg Mg1 1 0.49568111 0.99659441 0.99701796 1.0 Mg Mg2 1 0.00583381 0.61042251 0.80678086 1.0 Ta Ta3 1 0.49818105 0.79544434 0.40150012 1.0 Ta Ta4 1 0.99906777 0.39489601 0.20384587 1.0 Ta Ta5 1 0.50246782 0.20535297 0.59739417 1.0 Ta Ta6 1 0.00013533 0.79972512 0.39972676 1.0 Ta Ta7 1 0.50207784 0.60336607 0.79906717 1.0 Ta Ta8 1 0.49651171 0.39446249 0.19973845 1.0 Ta Ta9 1 0.00122049 0.20519647 0.59691297 1.0 B B10 1 0.33164911 0.23118731 0.86883389 1.0 B B11 1 0.33149480 0.63184458 0.06660624 1.0 B B12 1 0.16577461 0.36402624 0.93537624 1.0 B B13 1 0.33040412 0.02956240 0.26379687 1.0 B B14 1 0.16557212 0.76413923 0.13466853 1.0 B B15 1 0.83307344 0.23301336 0.86527153 1.0 B B16 1 0.16352283 0.16299996 0.32675708 1.0 B B17 1 0.83477293 0.63480759 0.06449598 1.0 B B18 1 0.33346602 0.43337379 0.46586736 1.0 B B19 1 0.66691781 0.36631631 0.93410538 1.0 B B20 1 0.83064586 0.02903598 0.26399318 1.0 B B21 1 0.66673766 0.76601030 0.13114837 1.0 B B22 1 0.33471761 0.83690597 0.66813098 1.0 B B23 1 0.16755045 0.56879642 0.53745937 1.0 B B24 1 0.66415389 0.16309205 0.33186549 1.0 B B25 1 0.83451268 0.43482974 0.46974346 1.0 B B26 1 0.16710676 0.96976119 0.73103696 1.0 B B27 1 0.83713048 0.83712960 0.67059124 1.0 B B28 1 0.67073050 0.57003486 0.53621628 1.0 B B29 1 0.67006548 0.97036171 0.73502961 1.0