# generated using pymatgen data_LiHo4(SiB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12171666 _cell_length_b 7.12171666 _cell_length_c 7.80188207 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHo4(SiB4)2 _chemical_formula_sum 'Li2 Ho8 Si4 B16' _cell_volume 395.70247167 _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 Ho Ho2 1 0.68349900 0.18349900 0.23618215 1.0 Ho Ho3 1 0.31650100 0.81650100 0.76381785 1.0 Ho Ho4 1 0.31650100 0.81650100 0.23618215 1.0 Ho Ho5 1 0.81650100 0.68349900 0.23618215 1.0 Ho Ho6 1 0.81650100 0.68349900 0.76381785 1.0 Ho Ho7 1 0.68349900 0.18349900 0.76381785 1.0 Ho Ho8 1 0.18349900 0.31650100 0.76381785 1.0 Ho Ho9 1 0.18349900 0.31650100 0.23618215 1.0 Si Si10 1 0.11435355 0.61435355 0.50000000 1.0 Si Si11 1 0.88564645 0.38564645 0.50000000 1.0 Si Si12 1 0.38564645 0.11435355 0.50000000 1.0 Si Si13 1 0.61435355 0.88564645 0.50000000 1.0 B B14 1 0.17387008 0.03933158 0.00000000 1.0 B B15 1 0.82612992 0.96066842 0.00000000 1.0 B B16 1 0.96066842 0.17387008 0.00000000 1.0 B B17 1 0.32612992 0.53933158 0.00000000 1.0 B B18 1 0.03933158 0.82612992 0.00000000 1.0 B B19 1 0.67387008 0.46066842 0.00000000 1.0 B B20 1 0.53933158 0.67387008 0.00000000 1.0 B B21 1 0.46066842 0.32612992 0.00000000 1.0 B B22 1 0.08867202 0.58867202 0.00000000 1.0 B B23 1 0.91132798 0.41132798 0.00000000 1.0 B B24 1 0.41132798 0.08867202 0.00000000 1.0 B B25 1 0.58867202 0.91132798 0.00000000 1.0 B B26 1 0.00000000 0.00000000 0.16181773 1.0 B B27 1 0.00000000 0.00000000 0.83818227 1.0 B B28 1 0.50000000 0.50000000 0.83818227 1.0 B B29 1 0.50000000 0.50000000 0.16181773 1.0