# generated using pymatgen data_LiTb4(SiB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16521453 _cell_length_b 7.16521453 _cell_length_c 7.91712986 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTb4(SiB4)2 _chemical_formula_sum 'Li2 Tb8 Si4 B16' _cell_volume 406.46781624 _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 0.00000000 0.50000000 1.0 Li Li1 1 0.50000000 0.50000000 0.50000000 1.0 Tb Tb2 1 0.68377722 0.18377722 0.23697242 1.0 Tb Tb3 1 0.31622278 0.81622278 0.76302758 1.0 Tb Tb4 1 0.31622278 0.81622278 0.23697242 1.0 Tb Tb5 1 0.81622278 0.68377722 0.23697242 1.0 Tb Tb6 1 0.81622278 0.68377722 0.76302758 1.0 Tb Tb7 1 0.68377722 0.18377722 0.76302758 1.0 Tb Tb8 1 0.18377722 0.31622278 0.76302758 1.0 Tb Tb9 1 0.18377722 0.31622278 0.23697242 1.0 Si Si10 1 0.11372217 0.61372217 0.50000000 1.0 Si Si11 1 0.88627783 0.38627783 0.50000000 1.0 Si Si12 1 0.38627783 0.11372217 0.50000000 1.0 Si Si13 1 0.61372217 0.88627783 0.50000000 1.0 B B14 1 0.17368963 0.03938924 0.00000000 1.0 B B15 1 0.82631037 0.96061076 0.00000000 1.0 B B16 1 0.96061076 0.17368963 0.00000000 1.0 B B17 1 0.32631037 0.53938924 0.00000000 1.0 B B18 1 0.03938924 0.82631037 0.00000000 1.0 B B19 1 0.67368963 0.46061076 0.00000000 1.0 B B20 1 0.53938924 0.67368963 0.00000000 1.0 B B21 1 0.46061076 0.32631037 0.00000000 1.0 B B22 1 0.08889830 0.58889830 0.00000000 1.0 B B23 1 0.91110170 0.41110170 0.00000000 1.0 B B24 1 0.41110170 0.08889830 0.00000000 1.0 B B25 1 0.58889830 0.91110170 0.00000000 1.0 B B26 1 0.00000000 0.00000000 0.15855574 1.0 B B27 1 0.00000000 0.00000000 0.84144426 1.0 B B28 1 0.50000000 0.50000000 0.84144426 1.0 B B29 1 0.50000000 0.50000000 0.15855574 1.0