# generated using pymatgen data_HoZrReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60390349 _cell_length_b 9.00802846 _cell_length_c 11.37978880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoZrReB6 _chemical_formula_sum 'Ho4 Zr4 Re4 B24' _cell_volume 369.43420565 _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 0.32190279 0.41361954 1.0 Ho Ho1 1 0.00000000 0.67809721 0.58638046 1.0 Ho Ho2 1 0.00000000 0.82190279 0.08638046 1.0 Ho Ho3 1 0.00000000 0.17809721 0.91361954 1.0 Zr Zr4 1 0.00000000 0.94493592 0.37238267 1.0 Zr Zr5 1 0.00000000 0.05506408 0.62761733 1.0 Zr Zr6 1 0.00000000 0.44493592 0.12761733 1.0 Zr Zr7 1 0.00000000 0.55506408 0.87238267 1.0 Re Re8 1 0.00000000 0.64051679 0.31837785 1.0 Re Re9 1 0.00000000 0.35948321 0.68162215 1.0 Re Re10 1 0.00000000 0.14051679 0.18162215 1.0 Re Re11 1 0.00000000 0.85948321 0.81837785 1.0 B B12 1 0.50000000 0.55410858 0.43314591 1.0 B B13 1 0.50000000 0.44589142 0.56685409 1.0 B B14 1 0.50000000 0.05410858 0.06685409 1.0 B B15 1 0.50000000 0.94589142 0.93314591 1.0 B B16 1 0.50000000 0.75148800 0.41829476 1.0 B B17 1 0.50000000 0.24851200 0.58170524 1.0 B B18 1 0.50000000 0.25148800 0.08170524 1.0 B B19 1 0.50000000 0.74851200 0.91829476 1.0 B B20 1 0.50000000 0.79439983 0.26430845 1.0 B B21 1 0.50000000 0.20560017 0.73569155 1.0 B B22 1 0.50000000 0.29439983 0.23569155 1.0 B B23 1 0.50000000 0.70560017 0.76430845 1.0 B B24 1 0.50000000 0.63056342 0.18332084 1.0 B B25 1 0.50000000 0.36943658 0.81667916 1.0 B B26 1 0.50000000 0.13056342 0.31667916 1.0 B B27 1 0.50000000 0.86943658 0.68332084 1.0 B B28 1 0.50000000 0.98200169 0.21312281 1.0 B B29 1 0.50000000 0.01799831 0.78687719 1.0 B B30 1 0.50000000 0.48200169 0.28687719 1.0 B B31 1 0.50000000 0.51799831 0.71312281 1.0 B B32 1 0.50000000 0.60120407 0.02715216 1.0 B B33 1 0.50000000 0.39879593 0.97284784 1.0 B B34 1 0.50000000 0.10120407 0.47284784 1.0 B B35 1 0.50000000 0.89879593 0.52715216 1.0