# generated using pymatgen data_Te40Rh31 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.22014700 _cell_length_b 12.59011096 _cell_length_c 12.69066126 _cell_angle_alpha 82.98822877 _cell_angle_beta 112.89453913 _cell_angle_gamma 111.37923692 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te40Rh31 _chemical_formula_sum 'Te40 Rh31' _cell_volume 1674.46876153 _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 Te Te0 1 0.78516300 0.47648800 0.66896600 1.0 Te Te1 1 0.53221900 0.67264300 0.85084500 1.0 Te Te2 1 0.43546000 0.92752400 0.88427600 1.0 Te Te3 1 0.98162000 0.02303400 0.77485100 1.0 Te Te4 1 0.56014500 0.67536000 0.48337100 1.0 Te Te5 1 0.01283500 0.30353900 0.83835900 1.0 Te Te6 1 0.72660400 0.24925600 0.85990300 1.0 Te Te7 1 0.54654500 0.87899500 0.34186700 1.0 Te Te8 1 0.58132000 0.40287000 0.87763200 1.0 Te Te9 1 0.33471600 0.07058600 0.35140900 1.0 Te Te10 1 0.93944000 0.14780000 0.32618500 1.0 Te Te11 1 0.81635200 0.80743300 0.88956400 1.0 Te Te12 1 0.21763600 0.97234300 0.00292700 1.0 Te Te13 1 0.96055000 0.61303400 0.47131300 1.0 Te Te14 1 0.11621200 0.14414900 0.57679700 1.0 Te Te15 1 0.76151100 0.37458600 0.17922200 1.0 Te Te16 1 0.73513600 0.18357200 0.47380900 1.0 Te Te17 1 0.30112300 0.25832900 0.85855200 1.0 Te Te18 1 0.01254600 0.32888300 0.11331900 1.0 Te Te19 1 0.35108300 0.49225100 0.63588000 1.0 Te Te20 1 0.64507800 0.49851000 0.36079100 1.0 Te Te21 1 0.99272600 0.67525300 0.88841200 1.0 Te Te22 1 0.70192800 0.74185100 0.16075400 1.0 Te Te23 1 0.26908200 0.81305000 0.53307000 1.0 Te Te24 1 0.23546500 0.63115200 0.82011400 1.0 Te Te25 1 0.89008600 0.85249300 0.43118300 1.0 Te Te26 1 0.03934600 0.38560400 0.53070500 1.0 Te Te27 1 0.78839400 0.02328000 0.99707900 1.0 Te Te28 1 0.17876900 0.18025800 0.11487200 1.0 Te Te29 1 0.05789300 0.85132300 0.67518500 1.0 Te Te30 1 0.66050300 0.92435300 0.64662400 1.0 Te Te31 1 0.42138100 0.60019700 0.10442500 1.0 Te Te32 1 0.45650600 0.12557300 0.66106800 1.0 Te Te33 1 0.27928700 0.74966100 0.14870400 1.0 Te Te34 1 0.97939400 0.70128900 0.15341900 1.0 Te Te35 1 0.43758300 0.32169900 0.51714000 1.0 Te Te36 1 0.01538000 0.97282500 0.22905700 1.0 Te Te37 1 0.56750900 0.08244600 0.11293300 1.0 Te Te38 1 0.46373200 0.33574000 0.14175900 1.0 Te Te39 1 0.20905700 0.52130200 0.33044400 1.0 Rh Rh40 1 0.99936000 0.99523600 0.00091600 1.0 Rh Rh41 1 0.46008600 0.48783900 0.96056900 1.0 Rh Rh42 1 0.97534000 0.20759300 0.65521300 1.0 Rh Rh43 1 0.80732800 0.48319100 0.88021700 1.0 Rh Rh44 1 0.46014800 0.72503400 0.61856000 1.0 Rh Rh45 1 0.22452400 0.04310400 0.79995300 1.0 Rh Rh46 1 0.94148600 0.49771300 0.10851700 1.0 Rh Rh47 1 0.78483500 0.65597800 0.52855000 1.0 Rh Rh48 1 0.82670800 0.10885600 0.81025000 1.0 Rh Rh49 1 0.49680400 0.85554500 0.11573800 1.0 Rh Rh50 1 0.98409400 0.36448400 0.30561000 1.0 Rh Rh51 1 0.06283200 0.50469000 0.89956700 1.0 Rh Rh52 1 0.61429700 0.88895800 0.83215400 1.0 Rh Rh53 1 0.21606600 0.42709400 0.77116800 1.0 Rh Rh54 1 0.80298300 0.39174900 0.39654300 1.0 Rh Rh55 1 0.49962300 0.15700300 0.87841300 1.0 Rh Rh56 1 0.24133700 0.35418400 0.99767400 1.0 Rh Rh57 1 0.03484200 0.79333300 0.35089400 1.0 Rh Rh58 1 0.67250500 0.21817100 0.63709800 1.0 Rh Rh59 1 0.52719200 0.01655000 0.47762800 1.0 Rh Rh60 1 0.33331700 0.78593600 0.37067500 1.0 Rh Rh61 1 0.73267700 0.63745700 0.00923000 1.0 Rh Rh62 1 0.53917800 0.26598600 0.39010100 1.0 Rh Rh63 1 0.19694600 0.60529400 0.60505100 1.0 Rh Rh64 1 0.81204000 0.58069600 0.24386700 1.0 Rh Rh65 1 0.38488000 0.11623100 0.16702500 1.0 Rh Rh66 1 0.01049500 0.63250000 0.69497000 1.0 Rh Rh67 1 0.17482200 0.89030900 0.18943600 1.0 Rh Rh68 1 0.21105400 0.33887600 0.46948500 1.0 Rh Rh69 1 0.77208500 0.96206900 0.19425500 1.0 Rh Rh70 1 0.20279900 0.51780100 0.12388800 1.0