# generated using pymatgen data_ZrPaReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63325608 _cell_length_b 9.05906634 _cell_length_c 11.41319451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPaReB6 _chemical_formula_sum 'Zr4 Pa4 Re4 B24' _cell_volume 375.65283215 _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 Zr Zr0 1 0.00000000 0.94561971 0.37404893 1.0 Zr Zr1 1 0.00000000 0.05438029 0.62595107 1.0 Zr Zr2 1 0.00000000 0.44561971 0.12595107 1.0 Zr Zr3 1 0.00000000 0.55438029 0.87404893 1.0 Pa Pa4 1 0.00000000 0.32342719 0.41360784 1.0 Pa Pa5 1 0.00000000 0.67657281 0.58639216 1.0 Pa Pa6 1 0.00000000 0.82342719 0.08639216 1.0 Pa Pa7 1 0.00000000 0.17657281 0.91360784 1.0 Re Re8 1 0.00000000 0.64128273 0.32035150 1.0 Re Re9 1 0.00000000 0.35871727 0.67964850 1.0 Re Re10 1 0.00000000 0.14128273 0.17964850 1.0 Re Re11 1 0.00000000 0.85871727 0.82035150 1.0 B B12 1 0.50000000 0.55310630 0.43388505 1.0 B B13 1 0.50000000 0.44689370 0.56611495 1.0 B B14 1 0.50000000 0.05310630 0.06611495 1.0 B B15 1 0.50000000 0.94689370 0.93388505 1.0 B B16 1 0.50000000 0.75230786 0.41923414 1.0 B B17 1 0.50000000 0.24769214 0.58076586 1.0 B B18 1 0.50000000 0.25230786 0.08076586 1.0 B B19 1 0.50000000 0.74769214 0.91923414 1.0 B B20 1 0.50000000 0.79572187 0.26463344 1.0 B B21 1 0.50000000 0.20427813 0.73536656 1.0 B B22 1 0.50000000 0.29572187 0.23536656 1.0 B B23 1 0.50000000 0.70427813 0.76463344 1.0 B B24 1 0.50000000 0.63160079 0.18304196 1.0 B B25 1 0.50000000 0.36839921 0.81695804 1.0 B B26 1 0.50000000 0.13160079 0.31695804 1.0 B B27 1 0.50000000 0.86839921 0.68304196 1.0 B B28 1 0.50000000 0.98152451 0.21412877 1.0 B B29 1 0.50000000 0.01847549 0.78587123 1.0 B B30 1 0.50000000 0.48152451 0.28587123 1.0 B B31 1 0.50000000 0.51847549 0.71412877 1.0 B B32 1 0.50000000 0.60397605 0.02821425 1.0 B B33 1 0.50000000 0.39602395 0.97178575 1.0 B B34 1 0.50000000 0.10397605 0.47178575 1.0 B B35 1 0.50000000 0.89602395 0.52821425 1.0