# generated using pymatgen data_HoScReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57787044 _cell_length_b 8.98892060 _cell_length_c 11.34954107 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoScReB6 _chemical_formula_sum 'Ho4 Sc4 Re4 B24' _cell_volume 365.01478404 _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 0.32198508 0.41406655 1.0 Ho Ho1 1 0.00000000 0.67801492 0.58593345 1.0 Ho Ho2 1 0.00000000 0.82198508 0.08593345 1.0 Ho Ho3 1 0.00000000 0.17801492 0.91406655 1.0 Sc Sc4 1 0.00000000 0.94390658 0.37001671 1.0 Sc Sc5 1 0.00000000 0.05609342 0.62998329 1.0 Sc Sc6 1 0.00000000 0.44390658 0.12998329 1.0 Sc Sc7 1 0.00000000 0.55609342 0.87001671 1.0 Re Re8 1 0.00000000 0.64104050 0.31827314 1.0 Re Re9 1 0.00000000 0.35895950 0.68172686 1.0 Re Re10 1 0.00000000 0.14104050 0.18172686 1.0 Re Re11 1 0.00000000 0.85895950 0.81827314 1.0 B B12 1 0.50000000 0.55425528 0.43255513 1.0 B B13 1 0.50000000 0.44574472 0.56744487 1.0 B B14 1 0.50000000 0.05425528 0.06744487 1.0 B B15 1 0.50000000 0.94574472 0.93255513 1.0 B B16 1 0.50000000 0.75399696 0.41830730 1.0 B B17 1 0.50000000 0.24600304 0.58169270 1.0 B B18 1 0.50000000 0.25399696 0.08169270 1.0 B B19 1 0.50000000 0.74600304 0.91830730 1.0 B B20 1 0.50000000 0.79504193 0.26445050 1.0 B B21 1 0.50000000 0.20495807 0.73554950 1.0 B B22 1 0.50000000 0.29504193 0.23554950 1.0 B B23 1 0.50000000 0.70495807 0.76445050 1.0 B B24 1 0.50000000 0.62933493 0.18292602 1.0 B B25 1 0.50000000 0.37066507 0.81707398 1.0 B B26 1 0.50000000 0.12933493 0.31707398 1.0 B B27 1 0.50000000 0.87066507 0.68292602 1.0 B B28 1 0.50000000 0.98139238 0.21357276 1.0 B B29 1 0.50000000 0.01860762 0.78642724 1.0 B B30 1 0.50000000 0.48139238 0.28642724 1.0 B B31 1 0.50000000 0.51860762 0.71357276 1.0 B B32 1 0.50000000 0.59573259 0.02606657 1.0 B B33 1 0.50000000 0.40426741 0.97393343 1.0 B B34 1 0.50000000 0.09573259 0.47393343 1.0 B B35 1 0.50000000 0.90426741 0.52606657 1.0