# generated using pymatgen data_LuTa3(BOs)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13813300 _cell_length_b 9.10644812 _cell_length_c 15.88441962 _cell_angle_alpha 90.02995690 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuTa3(BOs)4 _chemical_formula_sum 'Lu3 Ta9 B12 Os12' _cell_volume 453.93289437 _cell_formula_units_Z 3 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 Lu Lu0 1 0.00000000 0.32224447 0.79014763 1.0 Lu Lu1 1 0.00000000 0.17981772 0.29078984 1.0 Lu Lu2 1 0.00000000 0.82180167 0.70976093 1.0 Ta Ta3 1 0.00000000 0.80222371 0.49392925 1.0 Ta Ta4 1 0.00000000 0.19707839 0.50497531 1.0 Ta Ta5 1 0.00000000 0.30099373 0.00493408 1.0 Ta Ta6 1 0.00000000 0.69771034 0.99578025 1.0 Ta Ta7 1 0.00000000 0.51563469 0.59419236 1.0 Ta Ta8 1 0.00000000 0.48417187 0.40616132 1.0 Ta Ta9 1 0.00000000 0.01467206 0.90551401 1.0 Ta Ta10 1 0.00000000 0.98413277 0.09440959 1.0 Ta Ta11 1 0.00000000 0.68190588 0.20581136 1.0 B B12 1 0.50000000 0.60493336 0.49554721 1.0 B B13 1 0.50000000 0.39572034 0.50293469 1.0 B B14 1 0.50000000 0.10368250 0.00404257 1.0 B B15 1 0.50000000 0.89497257 0.99804499 1.0 B B16 1 0.00000000 0.60878557 0.83245067 1.0 B B17 1 0.00000000 0.39058104 0.16877887 1.0 B B18 1 0.00000000 0.10872903 0.66764143 1.0 B B19 1 0.00000000 0.89034160 0.33340843 1.0 B B20 1 0.50000000 0.71421019 0.59480058 1.0 B B21 1 0.50000000 0.28697995 0.40429117 1.0 B B22 1 0.50000000 0.21240365 0.90437623 1.0 B B23 1 0.50000000 0.78403898 0.09990077 1.0 Os Os24 1 0.50000000 0.71687438 0.35709854 1.0 Os Os25 1 0.50000000 0.27955668 0.63663007 1.0 Os Os26 1 0.50000000 0.22151710 0.13815511 1.0 Os Os27 1 0.50000000 0.77921326 0.86443418 1.0 Os Os28 1 0.50000000 0.51983317 0.09665992 1.0 Os Os29 1 0.50000000 0.48683952 0.91088272 1.0 Os Os30 1 0.50000000 0.01145846 0.40524361 1.0 Os Os31 1 0.50000000 0.98630220 0.59092179 1.0 Os Os32 1 0.50000000 0.56742098 0.73470932 1.0 Os Os33 1 0.50000000 0.44195437 0.26471623 1.0 Os Os34 1 0.50000000 0.06746410 0.76657695 1.0 Os Os35 1 0.50000000 0.92379872 0.23135004 1.0