# generated using pymatgen data_TmMgB6Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54286672 _cell_length_b 8.86013431 _cell_length_c 11.18537558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmMgB6Os _chemical_formula_sum 'Tm4 Mg4 B24 Os4' _cell_volume 351.11201569 _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 Tm Tm0 1 0.00000000 0.32429835 0.41381217 1.0 Tm Tm1 1 0.00000000 0.67570165 0.58618783 1.0 Tm Tm2 1 0.00000000 0.82429835 0.08618783 1.0 Tm Tm3 1 0.00000000 0.17570165 0.91381217 1.0 Mg Mg4 1 0.00000000 0.94460452 0.37020252 1.0 Mg Mg5 1 0.00000000 0.05539548 0.62979748 1.0 Mg Mg6 1 0.00000000 0.44460452 0.12979748 1.0 Mg Mg7 1 0.00000000 0.55539548 0.87020252 1.0 B B8 1 0.50000000 0.55581253 0.43280291 1.0 B B9 1 0.50000000 0.44418747 0.56719709 1.0 B B10 1 0.50000000 0.05581253 0.06719709 1.0 B B11 1 0.50000000 0.94418747 0.93280291 1.0 B B12 1 0.50000000 0.75566943 0.41857229 1.0 B B13 1 0.50000000 0.24433057 0.58142771 1.0 B B14 1 0.50000000 0.25566943 0.08142771 1.0 B B15 1 0.50000000 0.74433057 0.91857229 1.0 B B16 1 0.50000000 0.79397651 0.26265567 1.0 B B17 1 0.50000000 0.20602349 0.73734333 1.0 B B18 1 0.50000000 0.29397651 0.23734433 1.0 B B19 1 0.50000000 0.70602349 0.76265667 1.0 B B20 1 0.50000000 0.62817360 0.18173413 1.0 B B21 1 0.50000000 0.37182640 0.81826587 1.0 B B22 1 0.50000000 0.12817360 0.31826587 1.0 B B23 1 0.50000000 0.87182640 0.68173413 1.0 B B24 1 0.50000000 0.98100902 0.21293356 1.0 B B25 1 0.50000000 0.01899098 0.78706644 1.0 B B26 1 0.50000000 0.48100902 0.28706644 1.0 B B27 1 0.50000000 0.51899098 0.71293356 1.0 B B28 1 0.50000000 0.59275974 0.02519944 1.0 B B29 1 0.50000000 0.40724026 0.97480056 1.0 B B30 1 0.50000000 0.09275974 0.47480056 1.0 B B31 1 0.50000000 0.90724026 0.52519944 1.0 Os Os32 1 0.00000000 0.64120025 0.31851651 1.0 Os Os33 1 0.00000000 0.35879975 0.68148349 1.0 Os Os34 1 0.00000000 0.14120025 0.18148349 1.0 Os Os35 1 0.00000000 0.85879975 0.81851651 1.0