# generated using pymatgen data_HoScMnB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41749394 _cell_length_b 8.94495191 _cell_length_c 11.30723071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoScMnB6 _chemical_formula_sum 'Ho4 Sc4 Mn4 B24' _cell_volume 345.65434233 _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 0.82140609 0.08501604 1.0 Ho Ho1 1 0.00000000 0.17859391 0.91498396 1.0 Ho Ho2 1 0.00000000 0.32140609 0.41498396 1.0 Ho Ho3 1 0.00000000 0.67859391 0.58501604 1.0 Sc Sc4 1 0.00000000 0.44415896 0.12883819 1.0 Sc Sc5 1 0.00000000 0.55584104 0.87116181 1.0 Sc Sc6 1 0.00000000 0.94415896 0.37116181 1.0 Sc Sc7 1 0.00000000 0.05584104 0.62883819 1.0 Mn Mn8 1 0.00000000 0.14118694 0.18201864 1.0 Mn Mn9 1 0.00000000 0.85881306 0.81798136 1.0 Mn Mn10 1 0.00000000 0.64118694 0.31798136 1.0 Mn Mn11 1 0.00000000 0.35881306 0.68201864 1.0 B B12 1 0.50000000 0.05532961 0.06835570 1.0 B B13 1 0.50000000 0.94467039 0.93164430 1.0 B B14 1 0.50000000 0.55532961 0.43164430 1.0 B B15 1 0.50000000 0.44467039 0.56835570 1.0 B B16 1 0.50000000 0.25213421 0.08234591 1.0 B B17 1 0.50000000 0.74786579 0.91765409 1.0 B B18 1 0.50000000 0.75213421 0.41765409 1.0 B B19 1 0.50000000 0.24786579 0.58234591 1.0 B B20 1 0.50000000 0.29338275 0.23508594 1.0 B B21 1 0.50000000 0.70661725 0.76491406 1.0 B B22 1 0.50000000 0.79338275 0.26491406 1.0 B B23 1 0.50000000 0.20661725 0.73508594 1.0 B B24 1 0.50000000 0.12982335 0.31648237 1.0 B B25 1 0.50000000 0.87017665 0.68351763 1.0 B B26 1 0.50000000 0.62982335 0.18351763 1.0 B B27 1 0.50000000 0.37017665 0.81648237 1.0 B B28 1 0.50000000 0.48318757 0.28634140 1.0 B B29 1 0.50000000 0.51681243 0.71365860 1.0 B B30 1 0.50000000 0.98318757 0.21365860 1.0 B B31 1 0.50000000 0.01681243 0.78634140 1.0 B B32 1 0.50000000 0.09902261 0.47328613 1.0 B B33 1 0.50000000 0.90097739 0.52671387 1.0 B B34 1 0.50000000 0.59902261 0.02671387 1.0 B B35 1 0.50000000 0.40097739 0.97328613 1.0