# generated using pymatgen data_HoTiReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52263279 _cell_length_b 8.85492142 _cell_length_c 11.21581636 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoTiReB6 _chemical_formula_sum 'Ho4 Ti4 Re4 B24' _cell_volume 349.85088353 _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 Ho Ho0 1 0.00000000 0.32049883 0.41413956 1.0 Ho Ho1 1 0.00000000 0.67950117 0.58586044 1.0 Ho Ho2 1 0.00000000 0.82049883 0.08586044 1.0 Ho Ho3 1 0.00000000 0.17950117 0.91413956 1.0 Ti Ti4 1 0.00000000 0.94656687 0.37322247 1.0 Ti Ti5 1 0.00000000 0.05343313 0.62677753 1.0 Ti Ti6 1 0.00000000 0.44656687 0.12677753 1.0 Ti Ti7 1 0.00000000 0.55343313 0.87322247 1.0 Re Re8 1 0.00000000 0.64281605 0.31612046 1.0 Re Re9 1 0.00000000 0.35718395 0.68387954 1.0 Re Re10 1 0.00000000 0.14281605 0.18387954 1.0 Re Re11 1 0.00000000 0.85718395 0.81612046 1.0 B B12 1 0.50000000 0.55503601 0.43283719 1.0 B B13 1 0.50000000 0.44496399 0.56716281 1.0 B B14 1 0.50000000 0.05503601 0.06716281 1.0 B B15 1 0.50000000 0.94496399 0.93283719 1.0 B B16 1 0.50000000 0.75647402 0.41771829 1.0 B B17 1 0.50000000 0.24352598 0.58228171 1.0 B B18 1 0.50000000 0.25647402 0.08228171 1.0 B B19 1 0.50000000 0.74352598 0.91771829 1.0 B B20 1 0.50000000 0.79719176 0.26368459 1.0 B B21 1 0.50000000 0.20280824 0.73631541 1.0 B B22 1 0.50000000 0.29719176 0.23631541 1.0 B B23 1 0.50000000 0.70280824 0.76368459 1.0 B B24 1 0.50000000 0.62846575 0.18052370 1.0 B B25 1 0.50000000 0.37153425 0.81947630 1.0 B B26 1 0.50000000 0.12846575 0.31947630 1.0 B B27 1 0.50000000 0.87153425 0.68052370 1.0 B B28 1 0.50000000 0.98127933 0.21471096 1.0 B B29 1 0.50000000 0.01872067 0.78528904 1.0 B B30 1 0.50000000 0.48127933 0.28528904 1.0 B B31 1 0.50000000 0.51872067 0.71471096 1.0 B B32 1 0.50000000 0.59666817 0.02542670 1.0 B B33 1 0.50000000 0.40333183 0.97457330 1.0 B B34 1 0.50000000 0.09666817 0.47457330 1.0 B B35 1 0.50000000 0.90333183 0.52542670 1.0