# generated using pymatgen data_Co3Re25B12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43824200 _cell_length_b 4.94401200 _cell_length_c 12.91651845 _cell_angle_alpha 89.87973506 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3Re25B12 _chemical_formula_sum 'Co3 Re25 B12' _cell_volume 475.00079017 _cell_formula_units_Z 1 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 Co Co0 1 0.50000000 0.42957400 0.33463300 1.0 Co Co1 1 0.00000000 0.43269500 0.83381400 1.0 Co Co2 1 0.00000000 0.92751000 0.16640000 1.0 Re Re3 1 0.81816100 0.45867100 0.22706000 1.0 Re Re4 1 0.31392400 0.45739800 0.72814900 1.0 Re Re5 1 0.18183900 0.45867100 0.22706000 1.0 Re Re6 1 0.68607600 0.45739800 0.72814900 1.0 Re Re7 1 0.00000000 0.45571500 0.04508700 1.0 Re Re8 1 0.50000000 0.45053000 0.54257900 1.0 Re Re9 1 0.68355700 0.95801800 0.27112400 1.0 Re Re10 1 0.17903100 0.95248400 0.77536100 1.0 Re Re11 1 0.31644300 0.95801800 0.27112400 1.0 Re Re12 1 0.82096900 0.95248400 0.77536100 1.0 Re Re13 1 0.50000000 0.95200300 0.45000300 1.0 Re Re14 1 0.00000000 0.95624600 0.95702200 1.0 Re Re15 1 0.50000000 0.91219400 0.66601400 1.0 Re Re16 1 0.18523200 0.24873300 0.43687400 1.0 Re Re17 1 0.68538200 0.24810800 0.93864800 1.0 Re Re18 1 0.81476800 0.24873300 0.43687400 1.0 Re Re19 1 0.31461800 0.24810800 0.93864800 1.0 Re Re20 1 0.50000000 0.25174700 0.12405800 1.0 Re Re21 1 0.00000000 0.24786700 0.62465800 1.0 Re Re22 1 0.31371800 0.74851900 0.06337500 1.0 Re Re23 1 0.81616200 0.74919000 0.56042600 1.0 Re Re24 1 0.68628200 0.74851900 0.06337500 1.0 Re Re25 1 0.18383800 0.74919000 0.56042600 1.0 Re Re26 1 0.00000000 0.74973500 0.37432500 1.0 Re Re27 1 0.50000000 0.74862000 0.87926800 1.0 B B28 1 0.20827100 0.14810400 0.09758100 1.0 B B29 1 0.71474000 0.15815900 0.59497900 1.0 B B30 1 0.79172900 0.14810400 0.09758100 1.0 B B31 1 0.28526000 0.15815900 0.59497900 1.0 B B32 1 0.00000000 0.14607800 0.30418900 1.0 B B33 1 0.50000000 0.15616200 0.80931800 1.0 B B34 1 0.29076400 0.64649200 0.40151600 1.0 B B35 1 0.79236400 0.64716400 0.90450600 1.0 B B36 1 0.70923600 0.64649200 0.40151600 1.0 B B37 1 0.20763600 0.64716400 0.90450600 1.0 B B38 1 0.50000000 0.64675300 0.19478600 1.0 B B39 1 0.00000000 0.64642100 0.69461300 1.0