# generated using pymatgen data_Re12P25Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.50522841 _cell_length_b 9.50522820 _cell_length_c 9.50522764 _cell_angle_alpha 111.79384694 _cell_angle_beta 111.79384392 _cell_angle_gamma 111.79384831 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re12P25Se _chemical_formula_sum 'Re12 P25 Se1' _cell_volume 597.54149561 _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 Re Re0 1 0.82084948 0.91062119 0.33007323 1.0 Re Re1 1 0.91062119 0.33007323 0.82084948 1.0 Re Re2 1 0.33007323 0.82084948 0.91062119 1.0 Re Re3 1 0.17793829 0.08727138 0.66952583 1.0 Re Re4 1 0.08727138 0.66952583 0.17793829 1.0 Re Re5 1 0.66952583 0.17793829 0.08727138 1.0 Re Re6 1 0.83367550 0.72957886 0.50299352 1.0 Re Re7 1 0.72957886 0.50299352 0.83367550 1.0 Re Re8 1 0.50299352 0.83367550 0.72957886 1.0 Re Re9 1 0.16342376 0.27017293 0.49937923 1.0 Re Re10 1 0.27017293 0.49937923 0.16342376 1.0 Re Re11 1 0.49937923 0.16342376 0.27017293 1.0 P P12 1 0.64179926 0.64179926 0.64179926 1.0 P P13 1 0.96203863 0.00343498 0.19643356 1.0 P P14 1 0.00343498 0.19643356 0.96203863 1.0 P P15 1 0.19643356 0.96203863 0.00343498 1.0 P P16 1 0.03777921 0.99664483 0.80510522 1.0 P P17 1 0.99664483 0.80510522 0.03777921 1.0 P P18 1 0.80510522 0.03777921 0.99664483 1.0 P P19 1 0.37896718 0.00556696 0.79518321 1.0 P P20 1 0.00556696 0.79518321 0.37896718 1.0 P P21 1 0.79518321 0.37896718 0.00556696 1.0 P P22 1 0.62080367 0.99245759 0.20272549 1.0 P P23 1 0.99245759 0.20272549 0.62080367 1.0 P P24 1 0.20272549 0.62080367 0.99245759 1.0 P P25 1 0.40062251 0.22373963 0.61327096 1.0 P P26 1 0.22373963 0.61327196 0.40062251 1.0 P P27 1 0.61327196 0.40062251 0.22373963 1.0 P P28 1 0.59852016 0.77630141 0.38781098 1.0 P P29 1 0.77630141 0.38781198 0.59852016 1.0 P P30 1 0.38781098 0.59852016 0.77630141 1.0 P P31 1 0.60222531 0.61104228 0.99971705 1.0 P P32 1 0.61104228 0.99971705 0.60222531 1.0 P P33 1 0.99971705 0.60222531 0.61104228 1.0 P P34 1 0.39764803 0.38805631 0.99921452 1.0 P P35 1 0.38805631 0.99921452 0.39764803 1.0 P P36 1 0.99921452 0.39764803 0.38805631 1.0 Se Se37 1 0.36738885 0.36738885 0.36738885 1.0