# generated using pymatgen data_Nb4Ga5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.90758800 _cell_length_b 11.90758800 _cell_length_c 17.19039100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4Ga5 _chemical_formula_sum 'Nb64 Ga80' _cell_volume 2437.43674764 _cell_formula_units_Z 16 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 Nb Nb0 1 0.25288700 0.25288700 0.39892600 1.0 Nb Nb1 1 0.74711300 0.74711300 0.39892600 1.0 Nb Nb2 1 0.24711300 0.75288700 0.89892600 1.0 Nb Nb3 1 0.75288700 0.24711300 0.89892600 1.0 Nb Nb4 1 0.74711300 0.74711300 0.60107400 1.0 Nb Nb5 1 0.25288700 0.25288700 0.60107400 1.0 Nb Nb6 1 0.75288700 0.24711300 0.10107400 1.0 Nb Nb7 1 0.24711300 0.75288700 0.10107400 1.0 Nb Nb8 1 0.35510700 0.84669600 0.50000000 1.0 Nb Nb9 1 0.64489300 0.15330400 0.50000000 1.0 Nb Nb10 1 0.14489300 0.34669600 0.00000000 1.0 Nb Nb11 1 0.85510700 0.65330400 0.00000000 1.0 Nb Nb12 1 0.84669600 0.35510700 0.50000000 1.0 Nb Nb13 1 0.15330400 0.64489300 0.50000000 1.0 Nb Nb14 1 0.34669600 0.14489300 0.00000000 1.0 Nb Nb15 1 0.65330400 0.85510700 0.00000000 1.0 Nb Nb16 1 0.48729600 0.79815000 0.35108100 1.0 Nb Nb17 1 0.51270400 0.20185000 0.35108100 1.0 Nb Nb18 1 0.01270400 0.29815000 0.85108100 1.0 Nb Nb19 1 0.98729600 0.70185000 0.85108100 1.0 Nb Nb20 1 0.51270400 0.20185000 0.64891900 1.0 Nb Nb21 1 0.48729600 0.79815000 0.64891900 1.0 Nb Nb22 1 0.98729600 0.70185000 0.14891900 1.0 Nb Nb23 1 0.01270400 0.29815000 0.14891900 1.0 Nb Nb24 1 0.79815000 0.48729600 0.35108100 1.0 Nb Nb25 1 0.20185000 0.51270400 0.35108100 1.0 Nb Nb26 1 0.29815000 0.01270400 0.85108100 1.0 Nb Nb27 1 0.70185000 0.98729600 0.85108100 1.0 Nb Nb28 1 0.20185000 0.51270400 0.64891900 1.0 Nb Nb29 1 0.79815000 0.48729600 0.64891900 1.0 Nb Nb30 1 0.70185000 0.98729600 0.14891900 1.0 Nb Nb31 1 0.29815000 0.01270400 0.14891900 1.0 Nb Nb32 1 0.50000000 0.00000000 0.25000000 1.0 Nb Nb33 1 0.00000000 0.50000000 0.75000000 1.0 Nb Nb34 1 0.50000000 0.00000000 0.75000000 1.0 Nb Nb35 1 0.00000000 0.50000000 0.25000000 1.0 Nb Nb36 1 0.29312500 0.99458200 0.35378800 1.0 Nb Nb37 1 0.70687500 0.00541800 0.35378800 1.0 Nb Nb38 1 0.20687500 0.49458200 0.85378800 1.0 Nb Nb39 1 0.79312500 0.50541800 0.85378800 1.0 Nb Nb40 1 0.70687500 0.00541800 0.64621200 1.0 Nb Nb41 1 0.29312500 0.99458200 0.64621200 1.0 Nb Nb42 1 0.79312500 0.50541800 0.14621200 1.0 Nb Nb43 1 0.20687500 0.49458200 0.14621200 1.0 Nb Nb44 1 0.99458200 0.29312500 0.35378800 1.0 Nb Nb45 1 0.00541800 0.70687500 0.35378800 1.0 Nb Nb46 1 0.49458200 0.20687500 0.85378800 1.0 Nb Nb47 1 0.50541800 0.79312500 0.85378800 1.0 Nb Nb48 1 0.00541800 0.70687500 0.64621200 1.0 Nb Nb49 1 0.99458200 0.29312500 0.64621200 1.0 Nb Nb50 1 0.50541800 0.79312500 0.14621200 1.0 Nb Nb51 1 0.49458200 0.20687500 0.14621200 1.0 Nb Nb52 1 0.89084100 0.89084100 0.24154900 1.0 Nb Nb53 1 0.10915900 0.10915900 0.24154900 1.0 Nb Nb54 1 0.60915900 0.39084100 0.74154900 1.0 Nb Nb55 1 0.39084100 0.60915900 0.74154900 1.0 Nb Nb56 1 0.10915900 0.10915900 0.75845100 1.0 Nb Nb57 1 0.89084100 0.89084100 0.75845100 1.0 Nb Nb58 1 0.39084100 0.60915900 0.25845100 1.0 Nb Nb59 1 0.60915900 0.39084100 0.25845100 1.0 Nb Nb60 1 0.11715600 0.88284400 0.50000000 1.0 Nb Nb61 1 0.88284400 0.11715600 0.50000000 1.0 Nb Nb62 1 0.38284400 0.38284400 0.00000000 1.0 Nb Nb63 1 0.61715600 0.61715600 0.00000000 1.0 Ga Ga64 1 0.43464500 0.25021400 0.50000000 1.0 Ga Ga65 1 0.56535500 0.74978600 0.50000000 1.0 Ga Ga66 1 0.06535500 0.75021400 0.00000000 1.0 Ga Ga67 1 0.93464500 0.24978600 0.00000000 1.0 Ga Ga68 1 0.25021400 0.43464500 0.50000000 1.0 Ga Ga69 1 0.74978600 0.56535500 0.50000000 1.0 Ga Ga70 1 0.75021400 0.06535500 0.00000000 1.0 Ga Ga71 1 0.24978600 0.93464500 0.00000000 1.0 Ga Ga72 1 0.23883700 0.76116300 0.37360500 1.0 Ga Ga73 1 0.76116300 0.23883700 0.37360500 1.0 Ga Ga74 1 0.26116300 0.26116300 0.87360500 1.0 Ga Ga75 1 0.73883700 0.73883700 0.87360500 1.0 Ga Ga76 1 0.76116300 0.23883700 0.62639500 1.0 Ga Ga77 1 0.23883700 0.76116300 0.62639500 1.0 Ga Ga78 1 0.73883700 0.73883700 0.12639500 1.0 Ga Ga79 1 0.26116300 0.26116300 0.12639500 1.0 Ga Ga80 1 0.16641100 0.67000800 0.23944000 1.0 Ga Ga81 1 0.83358900 0.32999200 0.23944000 1.0 Ga Ga82 1 0.33358900 0.17000800 0.73944000 1.0 Ga Ga83 1 0.66641100 0.82999200 0.73944000 1.0 Ga Ga84 1 0.83358900 0.32999200 0.76056000 1.0 Ga Ga85 1 0.16641100 0.67000800 0.76056000 1.0 Ga Ga86 1 0.66641100 0.82999200 0.26056000 1.0 Ga Ga87 1 0.33358900 0.17000800 0.26056000 1.0 Ga Ga88 1 0.67000800 0.16641100 0.23944000 1.0 Ga Ga89 1 0.32999200 0.83358900 0.23944000 1.0 Ga Ga90 1 0.17000800 0.33358900 0.73944000 1.0 Ga Ga91 1 0.82999200 0.66641100 0.73944000 1.0 Ga Ga92 1 0.32999200 0.83358900 0.76056000 1.0 Ga Ga93 1 0.67000800 0.16641100 0.76056000 1.0 Ga Ga94 1 0.82999200 0.66641100 0.26056000 1.0 Ga Ga95 1 0.17000800 0.33358900 0.26056000 1.0 Ga Ga96 1 0.09134400 0.90865600 0.31839100 1.0 Ga Ga97 1 0.90865600 0.09134400 0.31839100 1.0 Ga Ga98 1 0.40865600 0.40865600 0.81839100 1.0 Ga Ga99 1 0.59134400 0.59134400 0.81839100 1.0 Ga Ga100 1 0.90865600 0.09134400 0.68160900 1.0 Ga Ga101 1 0.09134400 0.90865600 0.68160900 1.0 Ga Ga102 1 0.59134400 0.59134400 0.18160900 1.0 Ga Ga103 1 0.40865600 0.40865600 0.18160900 1.0 Ga Ga104 1 0.28158700 0.07070500 0.50000000 1.0 Ga Ga105 1 0.71841300 0.92929500 0.50000000 1.0 Ga Ga106 1 0.21841300 0.57070500 0.00000000 1.0 Ga Ga107 1 0.78158700 0.42929500 0.00000000 1.0 Ga Ga108 1 0.07070500 0.28158700 0.50000000 1.0 Ga Ga109 1 0.92929500 0.71841300 0.50000000 1.0 Ga Ga110 1 0.57070500 0.21841300 0.00000000 1.0 Ga Ga111 1 0.42929500 0.78158700 0.00000000 1.0 Ga Ga112 1 0.50000000 0.00000000 0.42239000 1.0 Ga Ga113 1 0.00000000 0.50000000 0.92239000 1.0 Ga Ga114 1 0.50000000 0.00000000 0.57761000 1.0 Ga Ga115 1 0.00000000 0.50000000 0.07761000 1.0 Ga Ga116 1 0.00000000 0.50000000 0.42239000 1.0 Ga Ga117 1 0.50000000 0.00000000 0.92239000 1.0 Ga Ga118 1 0.00000000 0.50000000 0.57761000 1.0 Ga Ga119 1 0.50000000 0.00000000 0.07761000 1.0 Ga Ga120 1 0.38320900 0.61679100 0.42552100 1.0 Ga Ga121 1 0.61679100 0.38320900 0.42552100 1.0 Ga Ga122 1 0.11679100 0.11679100 0.92552100 1.0 Ga Ga123 1 0.88320900 0.88320900 0.92552100 1.0 Ga Ga124 1 0.61679100 0.38320900 0.57447900 1.0 Ga Ga125 1 0.38320900 0.61679100 0.57447900 1.0 Ga Ga126 1 0.88320900 0.88320900 0.07447900 1.0 Ga Ga127 1 0.11679100 0.11679100 0.07447900 1.0 Ga Ga128 1 0.09013800 0.09013800 0.41106700 1.0 Ga Ga129 1 0.90986200 0.90986200 0.41106700 1.0 Ga Ga130 1 0.40986200 0.59013800 0.91106700 1.0 Ga Ga131 1 0.59013800 0.40986200 0.91106700 1.0 Ga Ga132 1 0.90986200 0.90986200 0.58893300 1.0 Ga Ga133 1 0.09013800 0.09013800 0.58893300 1.0 Ga Ga134 1 0.59013800 0.40986200 0.08893300 1.0 Ga Ga135 1 0.40986200 0.59013800 0.08893300 1.0 Ga Ga136 1 0.09648700 0.90351300 0.15849400 1.0 Ga Ga137 1 0.90351300 0.09648700 0.15849400 1.0 Ga Ga138 1 0.40351300 0.40351300 0.65849400 1.0 Ga Ga139 1 0.59648700 0.59648700 0.65849400 1.0 Ga Ga140 1 0.90351300 0.09648700 0.84150600 1.0 Ga Ga141 1 0.09648700 0.90351300 0.84150600 1.0 Ga Ga142 1 0.59648700 0.59648700 0.34150600 1.0 Ga Ga143 1 0.40351300 0.40351300 0.34150600 1.0