# generated using pymatgen data_LiTb2(NdSi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78333093 _cell_length_b 7.78333093 _cell_length_c 13.88050794 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTb2(NdSi2)2 _chemical_formula_sum 'Li4 Tb8 Nd8 Si16' _cell_volume 840.88450859 _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 0.30625141 0.30625141 0.50000000 1.0 Li Li1 1 0.19374859 0.80625141 0.75000000 1.0 Li Li2 1 0.80625141 0.19374859 0.25000000 1.0 Li Li3 1 0.69374859 0.69374859 0.00000000 1.0 Tb Tb4 1 0.50439234 0.37117290 0.12250713 1.0 Tb Tb5 1 0.00439234 0.12882710 0.62749287 1.0 Tb Tb6 1 0.87117290 0.99560766 0.87250713 1.0 Tb Tb7 1 0.12882710 0.00439234 0.37250713 1.0 Tb Tb8 1 0.49560766 0.62882710 0.62250713 1.0 Tb Tb9 1 0.37117290 0.50439234 0.87749287 1.0 Tb Tb10 1 0.62882710 0.49560766 0.37749287 1.0 Tb Tb11 1 0.99560766 0.87117290 0.12749287 1.0 Nd Nd12 1 0.63394434 0.00005256 0.45773280 1.0 Nd Nd13 1 0.36605566 0.99994744 0.95773280 1.0 Nd Nd14 1 0.00005256 0.63394434 0.54226720 1.0 Nd Nd15 1 0.50005256 0.86605566 0.20773280 1.0 Nd Nd16 1 0.49994744 0.13394434 0.70773280 1.0 Nd Nd17 1 0.86605566 0.50005256 0.79226720 1.0 Nd Nd18 1 0.13394434 0.49994744 0.29226720 1.0 Nd Nd19 1 0.99994744 0.36605566 0.04226720 1.0 Si Si20 1 0.28772997 0.92254448 0.55778868 1.0 Si Si21 1 0.71227003 0.07745552 0.05778868 1.0 Si Si22 1 0.92254448 0.28772997 0.44221132 1.0 Si Si23 1 0.42254448 0.21227003 0.30778868 1.0 Si Si24 1 0.57745552 0.78772997 0.80778868 1.0 Si Si25 1 0.21227003 0.42254448 0.69221132 1.0 Si Si26 1 0.78772997 0.57745552 0.19221132 1.0 Si Si27 1 0.07745552 0.71227003 0.94221132 1.0 Si Si28 1 0.78061641 0.84968329 0.68153858 1.0 Si Si29 1 0.21938359 0.15031671 0.18153858 1.0 Si Si30 1 0.84968329 0.78061641 0.31846142 1.0 Si Si31 1 0.34968329 0.71938359 0.43153858 1.0 Si Si32 1 0.65031671 0.28061641 0.93153858 1.0 Si Si33 1 0.71938359 0.34968329 0.56846142 1.0 Si Si34 1 0.28061641 0.65031671 0.06846142 1.0 Si Si35 1 0.15031671 0.21938359 0.81846142 1.0