# generated using pymatgen data_Gd2(FeB)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00568453 _cell_length_b 6.98852794 _cell_length_c 27.03721212 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2(FeB)7 _chemical_formula_sum 'Gd16 Fe56 B56' _cell_volume 1323.72627996 _cell_formula_units_Z 8 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 Gd Gd0 1 0.75000000 0.25000000 0.15636275 1.0 Gd Gd1 1 0.75000000 0.25000000 0.40610890 1.0 Gd Gd2 1 0.75000000 0.25000000 0.65636275 1.0 Gd Gd3 1 0.25000000 0.75000000 0.84363725 1.0 Gd Gd4 1 0.75000000 0.25000000 0.03131059 1.0 Gd Gd5 1 0.75000000 0.25000000 0.28129642 1.0 Gd Gd6 1 0.25000000 0.75000000 0.71870358 1.0 Gd Gd7 1 0.25000000 0.75000000 0.59389110 1.0 Gd Gd8 1 0.25000000 0.75000000 0.34363725 1.0 Gd Gd9 1 0.25000000 0.75000000 0.21870358 1.0 Gd Gd10 1 0.75000000 0.25000000 0.53131059 1.0 Gd Gd11 1 0.25000000 0.75000000 0.46868941 1.0 Gd Gd12 1 0.25000000 0.75000000 0.96868941 1.0 Gd Gd13 1 0.25000000 0.75000000 0.09389110 1.0 Gd Gd14 1 0.75000000 0.25000000 0.78129642 1.0 Gd Gd15 1 0.75000000 0.25000000 0.90610890 1.0 Fe Fe16 1 0.88104050 0.86558486 0.26674442 1.0 Fe Fe17 1 0.37732307 0.36677555 0.44915004 1.0 Fe Fe18 1 0.61712957 0.86354391 0.90855113 1.0 Fe Fe19 1 0.13596305 0.38299873 0.66214978 1.0 Fe Fe20 1 0.11895950 0.36558486 0.23325558 1.0 Fe Fe21 1 0.86428762 0.88108809 0.97952034 1.0 Fe Fe22 1 0.12883383 0.12688886 0.87716940 1.0 Fe Fe23 1 0.12883383 0.37311114 0.37716940 1.0 Fe Fe24 1 0.37116617 0.12688886 0.37716940 1.0 Fe Fe25 1 0.36868988 0.37623812 0.30504826 1.0 Fe Fe26 1 0.36428762 0.11891191 0.52047966 1.0 Fe Fe27 1 0.86428762 0.61891191 0.47952034 1.0 Fe Fe28 1 0.62883383 0.62688886 0.12283060 1.0 Fe Fe29 1 0.12267693 0.36677555 0.94915004 1.0 Fe Fe30 1 0.36868988 0.12376188 0.80504826 1.0 Fe Fe31 1 0.63571238 0.88108809 0.47952034 1.0 Fe Fe32 1 0.61895950 0.86558486 0.76674442 1.0 Fe Fe33 1 0.38104050 0.36558486 0.73325558 1.0 Fe Fe34 1 0.86403695 0.61700127 0.33785022 1.0 Fe Fe35 1 0.11895950 0.13441514 0.73325558 1.0 Fe Fe36 1 0.88287043 0.86354391 0.40855113 1.0 Fe Fe37 1 0.37732307 0.13322445 0.94915004 1.0 Fe Fe38 1 0.36428762 0.38108809 0.02047966 1.0 Fe Fe39 1 0.12267693 0.13322445 0.44915004 1.0 Fe Fe40 1 0.38287043 0.13645609 0.09144887 1.0 Fe Fe41 1 0.38104050 0.13441514 0.23325558 1.0 Fe Fe42 1 0.88287043 0.63645609 0.90855113 1.0 Fe Fe43 1 0.13131012 0.12376188 0.30504826 1.0 Fe Fe44 1 0.36403695 0.11700127 0.66214978 1.0 Fe Fe45 1 0.87732307 0.86677555 0.55084996 1.0 Fe Fe46 1 0.63596305 0.61700127 0.83785022 1.0 Fe Fe47 1 0.13131012 0.37623812 0.80504826 1.0 Fe Fe48 1 0.13571238 0.38108809 0.52047966 1.0 Fe Fe49 1 0.61895950 0.63441514 0.26674442 1.0 Fe Fe50 1 0.37116617 0.37311114 0.87716940 1.0 Fe Fe51 1 0.36403695 0.38299873 0.16214978 1.0 Fe Fe52 1 0.13571238 0.11891191 0.02047966 1.0 Fe Fe53 1 0.63131012 0.62376188 0.69495174 1.0 Fe Fe54 1 0.87732307 0.63322445 0.05084996 1.0 Fe Fe55 1 0.63596305 0.88299873 0.33785022 1.0 Fe Fe56 1 0.13596305 0.11700127 0.16214978 1.0 Fe Fe57 1 0.11712957 0.36354391 0.09144887 1.0 Fe Fe58 1 0.87116617 0.62688886 0.62283060 1.0 Fe Fe59 1 0.62267693 0.86677555 0.05084996 1.0 Fe Fe60 1 0.38287043 0.36354391 0.59144887 1.0 Fe Fe61 1 0.62267693 0.63322445 0.55084996 1.0 Fe Fe62 1 0.62883383 0.87311114 0.62283060 1.0 Fe Fe63 1 0.61712957 0.63645609 0.40855113 1.0 Fe Fe64 1 0.86403695 0.88299873 0.83785022 1.0 Fe Fe65 1 0.86868988 0.87623812 0.69495174 1.0 Fe Fe66 1 0.63131012 0.87623812 0.19495174 1.0 Fe Fe67 1 0.88104050 0.63441514 0.76674442 1.0 Fe Fe68 1 0.11712957 0.13645609 0.59144887 1.0 Fe Fe69 1 0.86868988 0.62376188 0.19495174 1.0 Fe Fe70 1 0.87116617 0.87311114 0.12283060 1.0 Fe Fe71 1 0.63571238 0.61891191 0.97952034 1.0 B B72 1 0.92212223 0.93383988 0.62262748 1.0 B B73 1 0.43970945 0.42224562 0.23358229 1.0 B B74 1 0.91935624 0.94791882 0.33769123 1.0 B B75 1 0.58064376 0.94791882 0.83769123 1.0 B B76 1 0.42212223 0.06616012 0.87737252 1.0 B B77 1 0.05799334 0.08197215 0.94922632 1.0 B B78 1 0.07313840 0.06996803 0.80547352 1.0 B B79 1 0.42212223 0.43383988 0.37737252 1.0 B B80 1 0.55799334 0.91802785 0.55077368 1.0 B B81 1 0.58064376 0.55208118 0.33769123 1.0 B B82 1 0.93970945 0.92224562 0.76641771 1.0 B B83 1 0.42686160 0.43003197 0.80547352 1.0 B B84 1 0.07787777 0.06616012 0.37737252 1.0 B B85 1 0.45082817 0.41718909 0.09159170 1.0 B B86 1 0.04917183 0.08281091 0.09159170 1.0 B B87 1 0.91935624 0.55208118 0.83769123 1.0 B B88 1 0.04917183 0.41718909 0.59159170 1.0 B B89 1 0.06029055 0.07775438 0.23358229 1.0 B B90 1 0.43970945 0.07775438 0.73358229 1.0 B B91 1 0.08064376 0.44791882 0.16230877 1.0 B B92 1 0.92686160 0.93003197 0.19452648 1.0 B B93 1 0.55799334 0.58197215 0.05077368 1.0 B B94 1 0.41935624 0.05208118 0.16230877 1.0 B B95 1 0.07313840 0.43003197 0.30547352 1.0 B B96 1 0.56029055 0.57775438 0.76641771 1.0 B B97 1 0.91682559 0.55097943 0.97959656 1.0 B B98 1 0.54917183 0.58281091 0.90840830 1.0 B B99 1 0.92686160 0.56996803 0.69452648 1.0 B B100 1 0.92212223 0.56616012 0.12262748 1.0 B B101 1 0.54917183 0.91718909 0.40840830 1.0 B B102 1 0.58317441 0.94902057 0.97959656 1.0 B B103 1 0.57787777 0.56616012 0.62262748 1.0 B B104 1 0.57313840 0.56996803 0.19452648 1.0 B B105 1 0.45082817 0.08281091 0.59159170 1.0 B B106 1 0.41935624 0.44791882 0.66230877 1.0 B B107 1 0.44200666 0.08197215 0.44922632 1.0 B B108 1 0.44200666 0.41802785 0.94922632 1.0 B B109 1 0.42686160 0.06996803 0.30547352 1.0 B B110 1 0.95082817 0.91718909 0.90840830 1.0 B B111 1 0.57787777 0.93383988 0.12262748 1.0 B B112 1 0.06029055 0.42224562 0.73358229 1.0 B B113 1 0.94200666 0.58197215 0.55077368 1.0 B B114 1 0.91682559 0.94902057 0.47959656 1.0 B B115 1 0.08317441 0.05097943 0.52040344 1.0 B B116 1 0.07787777 0.43383988 0.87737252 1.0 B B117 1 0.58317441 0.55097943 0.47959656 1.0 B B118 1 0.57313840 0.93003197 0.69452648 1.0 B B119 1 0.08317441 0.44902057 0.02040344 1.0 B B120 1 0.41682559 0.05097943 0.02040344 1.0 B B121 1 0.08064376 0.05208118 0.66230877 1.0 B B122 1 0.56029055 0.92224562 0.26641771 1.0 B B123 1 0.41682559 0.44902057 0.52040344 1.0 B B124 1 0.94200666 0.91802785 0.05077368 1.0 B B125 1 0.95082817 0.58281091 0.40840830 1.0 B B126 1 0.93970945 0.57775438 0.26641771 1.0 B B127 1 0.05799334 0.41802785 0.44922632 1.0