# generated using pymatgen data_PrZrReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67167566 _cell_length_b 9.13254392 _cell_length_c 11.60104041 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrZrReB6 _chemical_formula_sum 'Pr4 Zr4 Re4 B24' _cell_volume 389.00306224 _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 Pr Pr0 1 0.00000000 0.32276345 0.41476964 1.0 Pr Pr1 1 0.00000000 0.67723655 0.58523036 1.0 Pr Pr2 1 0.00000000 0.82276345 0.08523036 1.0 Pr Pr3 1 0.00000000 0.17723655 0.91476964 1.0 Zr Zr4 1 0.00000000 0.94597257 0.37195720 1.0 Zr Zr5 1 0.00000000 0.05402743 0.62804280 1.0 Zr Zr6 1 0.00000000 0.44597257 0.12804280 1.0 Zr Zr7 1 0.00000000 0.55402743 0.87195720 1.0 Re Re8 1 0.00000000 0.64245471 0.31612839 1.0 Re Re9 1 0.00000000 0.35754529 0.68387161 1.0 Re Re10 1 0.00000000 0.14245471 0.18387161 1.0 Re Re11 1 0.00000000 0.85754529 0.81612839 1.0 B B12 1 0.50000000 0.55738390 0.42890956 1.0 B B13 1 0.50000000 0.44261610 0.57109044 1.0 B B14 1 0.50000000 0.05738390 0.07109044 1.0 B B15 1 0.50000000 0.94261610 0.92890956 1.0 B B16 1 0.50000000 0.75321901 0.41478670 1.0 B B17 1 0.50000000 0.24678099 0.58521330 1.0 B B18 1 0.50000000 0.25321901 0.08521330 1.0 B B19 1 0.50000000 0.74678099 0.91478670 1.0 B B20 1 0.50000000 0.79482538 0.26524094 1.0 B B21 1 0.50000000 0.20517462 0.73475906 1.0 B B22 1 0.50000000 0.29482538 0.23475906 1.0 B B23 1 0.50000000 0.70517462 0.76524094 1.0 B B24 1 0.50000000 0.62990261 0.18382435 1.0 B B25 1 0.50000000 0.37009739 0.81617565 1.0 B B26 1 0.50000000 0.12990261 0.31617565 1.0 B B27 1 0.50000000 0.87009739 0.68382435 1.0 B B28 1 0.50000000 0.98475639 0.21527387 1.0 B B29 1 0.50000000 0.01524361 0.78472613 1.0 B B30 1 0.50000000 0.48475639 0.28472613 1.0 B B31 1 0.50000000 0.51524361 0.71527387 1.0 B B32 1 0.50000000 0.59804501 0.02575623 1.0 B B33 1 0.50000000 0.40195499 0.97424377 1.0 B B34 1 0.50000000 0.09804501 0.47424377 1.0 B B35 1 0.50000000 0.90195499 0.52575623 1.0