# generated using pymatgen data_Zr37Mo15P4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75578693 _cell_length_b 8.75589500 _cell_length_c 17.55079200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00009104 _cell_angle_gamma 59.99959548 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr37Mo15P4 _chemical_formula_sum 'Zr37 Mo15 P4' _cell_volume 1165.25589857 _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 Zr Zr0 1 0.53680400 0.92639700 0.37513900 1.0 Zr Zr1 1 0.53641700 0.92716800 0.87498700 1.0 Zr Zr2 1 0.92638500 0.53680800 0.37513900 1.0 Zr Zr3 1 0.92715700 0.53642100 0.87498700 1.0 Zr Zr4 1 0.53680400 0.53679900 0.37513900 1.0 Zr Zr5 1 0.53641700 0.53641500 0.87498700 1.0 Zr Zr6 1 0.46319600 0.07360300 0.12486100 1.0 Zr Zr7 1 0.46358300 0.07283200 0.62501300 1.0 Zr Zr8 1 0.07361500 0.46319200 0.12486100 1.0 Zr Zr9 1 0.07284300 0.46357900 0.62501300 1.0 Zr Zr10 1 0.46319600 0.46320100 0.12486100 1.0 Zr Zr11 1 0.46358300 0.46358500 0.62501300 1.0 Zr Zr12 1 0.20050800 0.59898400 0.27416100 1.0 Zr Zr13 1 0.19835300 0.60329800 0.77389300 1.0 Zr Zr14 1 0.59899500 0.20050200 0.27415600 1.0 Zr Zr15 1 0.60330800 0.19834600 0.77388700 1.0 Zr Zr16 1 0.20050800 0.20050800 0.27416100 1.0 Zr Zr17 1 0.19835300 0.19834900 0.77389300 1.0 Zr Zr18 1 0.79949200 0.40101600 0.22583900 1.0 Zr Zr19 1 0.80164700 0.39670200 0.72610700 1.0 Zr Zr20 1 0.40100500 0.79949800 0.22584400 1.0 Zr Zr21 1 0.39669200 0.80165400 0.72611300 1.0 Zr Zr22 1 0.79949200 0.79949200 0.22583900 1.0 Zr Zr23 1 0.80164700 0.80165100 0.72610700 1.0 Zr Zr24 1 0.80165900 0.39668000 0.02387500 1.0 Zr Zr25 1 0.80172900 0.39653900 0.52450300 1.0 Zr Zr26 1 0.39666600 0.80166700 0.02386900 1.0 Zr Zr27 1 0.39652800 0.80173600 0.52449700 1.0 Zr Zr28 1 0.80165900 0.80166100 0.02387500 1.0 Zr Zr29 1 0.80172900 0.80173200 0.52450300 1.0 Zr Zr30 1 0.19834100 0.60332000 0.47612500 1.0 Zr Zr31 1 0.19827100 0.60346100 0.97549700 1.0 Zr Zr32 1 0.60333400 0.19833300 0.47613100 1.0 Zr Zr33 1 0.60347200 0.19826400 0.97550300 1.0 Zr Zr34 1 0.19834100 0.19833900 0.47612500 1.0 Zr Zr35 1 0.19827100 0.19826800 0.97549700 1.0 Zr Zr36 1 0.00000000 0.00000000 0.25000000 1.0 Mo Mo37 1 0.88940200 0.22120700 0.37751300 1.0 Mo Mo38 1 0.89141300 0.21718900 0.87490700 1.0 Mo Mo39 1 0.22120800 0.88939600 0.37751100 1.0 Mo Mo40 1 0.21719000 0.89140500 0.87490600 1.0 Mo Mo41 1 0.88940200 0.88939000 0.37751300 1.0 Mo Mo42 1 0.89141300 0.89139900 0.87490700 1.0 Mo Mo43 1 0.11059800 0.77879300 0.12248700 1.0 Mo Mo44 1 0.10858700 0.78281100 0.62509300 1.0 Mo Mo45 1 0.77879200 0.11060400 0.12248900 1.0 Mo Mo46 1 0.78281000 0.10859500 0.62509400 1.0 Mo Mo47 1 0.11059800 0.11061000 0.12248700 1.0 Mo Mo48 1 0.10858700 0.10860100 0.62509300 1.0 Mo Mo49 1 0.00000000 0.00000000 0.75000000 1.0 Mo Mo50 1 0.00000000 0.00000000 0.99893500 1.0 Mo Mo51 1 0.00000000 0.00000000 0.50106500 1.0 P P52 1 0.33336300 0.33331800 0.37579800 1.0 P P53 1 0.33335800 0.33332100 0.87504400 1.0 P P54 1 0.66663700 0.66668200 0.12420200 1.0 P P55 1 0.66664200 0.66667900 0.62495600 1.0