# generated using pymatgen data_Sm2Co7(P2Ru)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73594853 _cell_length_b 10.39202356 _cell_length_c 11.87203603 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Co7(P2Ru)3 _chemical_formula_sum 'Sm4 Co14 P12 Ru6' _cell_volume 460.92070059 _cell_formula_units_Z 2 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 Sm Sm0 1 0.25000000 0.58516391 0.70470943 1.0 Sm Sm1 1 0.25000000 0.91483609 0.20470943 1.0 Sm Sm2 1 0.75000000 0.41715003 0.29276391 1.0 Sm Sm3 1 0.75000000 0.08284997 0.79276391 1.0 Co Co4 1 0.75000000 0.60088359 0.51224806 1.0 Co Co5 1 0.75000000 0.89911641 0.01224806 1.0 Co Co6 1 0.25000000 0.22647036 0.17650775 1.0 Co Co7 1 0.25000000 0.27352964 0.67650775 1.0 Co Co8 1 0.75000000 0.77630148 0.82578401 1.0 Co Co9 1 0.75000000 0.72369852 0.32578401 1.0 Co Co10 1 0.25000000 0.88083104 0.70089834 1.0 Co Co11 1 0.25000000 0.61916896 0.20089834 1.0 Co Co12 1 0.75000000 0.11643713 0.29804471 1.0 Co Co13 1 0.75000000 0.38356287 0.79804471 1.0 Co Co14 1 0.25000000 0.46494269 0.93253031 1.0 Co Co15 1 0.25000000 0.03505731 0.43253031 1.0 Co Co16 1 0.75000000 0.53738942 0.06603133 1.0 Co Co17 1 0.75000000 0.96261058 0.56603133 1.0 P P18 1 0.25000000 0.42460338 0.11123778 1.0 P P19 1 0.25000000 0.07539662 0.61123778 1.0 P P20 1 0.75000000 0.57719679 0.88766931 1.0 P P21 1 0.75000000 0.92280321 0.38766931 1.0 P P22 1 0.25000000 0.27507740 0.86366977 1.0 P P23 1 0.25000000 0.22492260 0.36366977 1.0 P P24 1 0.75000000 0.72651725 0.13579315 1.0 P P25 1 0.75000000 0.77348275 0.63579315 1.0 P P26 1 0.25000000 0.60350326 0.38950206 1.0 P P27 1 0.25000000 0.89649674 0.88950206 1.0 P P28 1 0.75000000 0.39821234 0.61083134 1.0 P P29 1 0.75000000 0.10178766 0.11083134 1.0 Ru Ru30 1 0.25000000 0.70867173 0.98833348 1.0 Ru Ru31 1 0.25000000 0.79132827 0.48833348 1.0 Ru Ru32 1 0.75000000 0.29426135 0.01363721 1.0 Ru Ru33 1 0.75000000 0.20573865 0.51363721 1.0 Ru Ru34 1 0.25000000 0.40772113 0.48980805 1.0 Ru Ru35 1 0.25000000 0.09227887 0.98980805 1.0