# generated using pymatgen data_LiPaB6Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57809648 _cell_length_b 8.81459733 _cell_length_c 11.20881673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPaB6Os _chemical_formula_sum 'Li4 Pa4 B24 Os4' _cell_volume 353.52024701 _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 0.00000000 0.94676018 0.37881896 1.0 Li Li1 1 0.00000000 0.05323982 0.62118104 1.0 Li Li2 1 0.00000000 0.44676018 0.12118104 1.0 Li Li3 1 0.00000000 0.55323982 0.87881896 1.0 Pa Pa4 1 0.00000000 0.31645822 0.41422472 1.0 Pa Pa5 1 0.00000000 0.68354178 0.58577528 1.0 Pa Pa6 1 0.00000000 0.81645822 0.08577528 1.0 Pa Pa7 1 0.00000000 0.18354178 0.91422472 1.0 B B8 1 0.50000000 0.55482957 0.43270383 1.0 B B9 1 0.50000000 0.44517043 0.56729617 1.0 B B10 1 0.50000000 0.05482957 0.06729617 1.0 B B11 1 0.50000000 0.94517043 0.93270383 1.0 B B12 1 0.50000000 0.75718958 0.41804607 1.0 B B13 1 0.50000000 0.24281042 0.58195393 1.0 B B14 1 0.50000000 0.25718958 0.08195393 1.0 B B15 1 0.50000000 0.74281042 0.91804607 1.0 B B16 1 0.50000000 0.79229093 0.26378604 1.0 B B17 1 0.50000000 0.20770907 0.73621296 1.0 B B18 1 0.50000000 0.29229093 0.23621396 1.0 B B19 1 0.50000000 0.70770907 0.76378704 1.0 B B20 1 0.50000000 0.62516576 0.18120705 1.0 B B21 1 0.50000000 0.37483424 0.81879295 1.0 B B22 1 0.50000000 0.12516576 0.31879295 1.0 B B23 1 0.50000000 0.87483424 0.68120705 1.0 B B24 1 0.50000000 0.97991316 0.21458391 1.0 B B25 1 0.50000000 0.02008684 0.78541609 1.0 B B26 1 0.50000000 0.47991316 0.28541609 1.0 B B27 1 0.50000000 0.52008684 0.71458391 1.0 B B28 1 0.50000000 0.59345875 0.02588432 1.0 B B29 1 0.50000000 0.40654125 0.97411568 1.0 B B30 1 0.50000000 0.09345875 0.47411568 1.0 B B31 1 0.50000000 0.90654125 0.52588432 1.0 Os Os32 1 0.00000000 0.64034066 0.31874446 1.0 Os Os33 1 0.00000000 0.35965934 0.68125554 1.0 Os Os34 1 0.00000000 0.14034066 0.18125554 1.0 Os Os35 1 0.00000000 0.85965934 0.81874446 1.0