# generated using pymatgen data_LiTm4(SiB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07620749 _cell_length_b 7.07620749 _cell_length_c 7.69554067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTm4(SiB4)2 _chemical_formula_sum 'Li2 Tm8 Si4 B16' _cell_volume 385.33659540 _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 Tm Tm2 1 0.68335293 0.18335293 0.23557414 1.0 Tm Tm3 1 0.31664707 0.81664707 0.76442586 1.0 Tm Tm4 1 0.31664707 0.81664707 0.23557414 1.0 Tm Tm5 1 0.81664707 0.68335293 0.23557414 1.0 Tm Tm6 1 0.81664707 0.68335293 0.76442586 1.0 Tm Tm7 1 0.68335293 0.18335293 0.76442586 1.0 Tm Tm8 1 0.18335293 0.31664707 0.76442586 1.0 Tm Tm9 1 0.18335293 0.31664707 0.23557414 1.0 Si Si10 1 0.11495542 0.61495542 0.50000000 1.0 Si Si11 1 0.88504458 0.38504458 0.50000000 1.0 Si Si12 1 0.38504458 0.11495542 0.50000000 1.0 Si Si13 1 0.61495542 0.88504458 0.50000000 1.0 B B14 1 0.17397541 0.03934770 0.00000000 1.0 B B15 1 0.82602459 0.96065230 0.00000000 1.0 B B16 1 0.96065230 0.17397541 0.00000000 1.0 B B17 1 0.32602459 0.53934770 0.00000000 1.0 B B18 1 0.03934770 0.82602459 0.00000000 1.0 B B19 1 0.67397541 0.46065230 0.00000000 1.0 B B20 1 0.53934770 0.67397541 0.00000000 1.0 B B21 1 0.46065230 0.32602459 0.00000000 1.0 B B22 1 0.08847918 0.58847918 0.00000000 1.0 B B23 1 0.91152082 0.41152082 0.00000000 1.0 B B24 1 0.41152082 0.08847918 0.00000000 1.0 B B25 1 0.58847918 0.91152082 0.00000000 1.0 B B26 1 0.00000000 0.00000000 0.16500096 1.0 B B27 1 0.00000000 0.00000000 0.83499904 1.0 B B28 1 0.50000000 0.50000000 0.83499904 1.0 B B29 1 0.50000000 0.50000000 0.16500096 1.0