# generated using pymatgen data_Ta36B4C35 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16516204 _cell_length_b 3.16516204 _cell_length_c 100.46237217 _cell_angle_alpha 89.98753867 _cell_angle_beta 89.98753867 _cell_angle_gamma 60.00121154 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta36B4C35 _chemical_formula_sum 'Ta36 B4 C35' _cell_volume 871.62814506 _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 Ta Ta0 1 0.99942500 0.99942500 0.92356100 1.0 Ta Ta1 1 0.33348900 0.33348900 0.87333100 1.0 Ta Ta2 1 0.66669800 0.66669800 0.89921700 1.0 Ta Ta3 1 0.00013900 0.00013900 0.84750600 1.0 Ta Ta4 1 0.66698700 0.66698700 0.82128900 1.0 Ta Ta5 1 0.33356200 0.33356200 0.79554500 1.0 Ta Ta6 1 0.66690200 0.66690200 0.74381700 1.0 Ta Ta7 1 0.00031700 0.00031700 0.76957000 1.0 Ta Ta8 1 0.33353900 0.33353900 0.71801900 1.0 Ta Ta9 1 0.00020700 0.00020700 0.69235200 1.0 Ta Ta10 1 0.66671900 0.66671900 0.66664900 1.0 Ta Ta11 1 0.99999400 0.99999400 0.61533500 1.0 Ta Ta12 1 0.33328500 0.33328500 0.64102800 1.0 Ta Ta13 1 0.33336300 0.33336300 0.56405200 1.0 Ta Ta14 1 0.66665800 0.66665800 0.58971500 1.0 Ta Ta15 1 0.00010000 0.00010000 0.53845500 1.0 Ta Ta16 1 0.33345100 0.33345100 0.48725600 1.0 Ta Ta17 1 0.66671200 0.66671200 0.51282800 1.0 Ta Ta18 1 0.66683800 0.66683800 0.43606300 1.0 Ta Ta19 1 0.00002400 0.00002400 0.46166500 1.0 Ta Ta20 1 0.33364300 0.33364300 0.41044200 1.0 Ta Ta21 1 0.66687400 0.66687400 0.35935300 1.0 Ta Ta22 1 0.00022500 0.00022500 0.38478300 1.0 Ta Ta23 1 0.00009700 0.00009700 0.30824900 1.0 Ta Ta24 1 0.33354700 0.33354700 0.33385900 1.0 Ta Ta25 1 0.33320300 0.33320300 0.25615200 1.0 Ta Ta26 1 0.66683600 0.66683600 0.28243100 1.0 Ta Ta27 1 0.99993500 0.99993500 0.23031300 1.0 Ta Ta28 1 0.66634700 0.66634700 0.20455600 1.0 Ta Ta29 1 0.33350300 0.33350300 0.17888900 1.0 Ta Ta30 1 0.66744900 0.66744900 0.12738200 1.0 Ta Ta31 1 0.99959500 0.99959500 0.15309500 1.0 Ta Ta32 1 0.33271400 0.33271400 0.10151700 1.0 Ta Ta33 1 0.00263800 0.00263800 0.07544800 1.0 Ta Ta34 1 0.33747300 0.33747300 0.02324600 1.0 Ta Ta35 1 0.66904200 0.66904200 0.04946100 1.0 B B36 1 0.00075500 0.00075500 0.94628000 1.0 B B37 1 0.00002200 0.00002200 0.26929100 1.0 B B38 1 0.00456900 0.00456900 0.03586700 1.0 B B39 1 0.65755100 0.65755100 0.00288300 1.0 C C40 1 0.31950400 0.31950400 0.00252400 1.0 C C41 1 0.66737700 0.66737700 0.94503500 1.0 C C42 1 0.33295500 0.33295500 0.91237400 1.0 C C43 1 0.00013300 0.00013300 0.88610100 1.0 C C44 1 0.66682100 0.66682100 0.86055200 1.0 C C45 1 0.33352600 0.33352600 0.83450000 1.0 C C46 1 0.00021400 0.00021400 0.80842900 1.0 C C47 1 0.66700400 0.66700400 0.78253100 1.0 C C48 1 0.33365600 0.33365600 0.75669600 1.0 C C49 1 0.00021200 0.00021200 0.73090100 1.0 C C50 1 0.66682000 0.66682000 0.70517600 1.0 C C51 1 0.33351100 0.33351100 0.67949000 1.0 C C52 1 0.99994100 0.99994100 0.65383400 1.0 C C53 1 0.66670300 0.66670300 0.62817300 1.0 C C54 1 0.33327600 0.33327600 0.60253500 1.0 C C55 1 0.00002500 0.00002500 0.57687700 1.0 C C56 1 0.66673600 0.66673600 0.55126300 1.0 C C57 1 0.33344300 0.33344300 0.52564600 1.0 C C58 1 0.00008000 0.00008000 0.50004000 1.0 C C59 1 0.66676800 0.66676800 0.47445300 1.0 C C60 1 0.33338500 0.33338500 0.44885100 1.0 C C61 1 0.00024100 0.00024100 0.42324400 1.0 C C62 1 0.66699100 0.66699100 0.39763900 1.0 C C63 1 0.33356000 0.33356000 0.37208700 1.0 C C64 1 0.00021400 0.00021400 0.34656400 1.0 C C65 1 0.66682000 0.66682000 0.32105100 1.0 C C66 1 0.33349000 0.33349000 0.29553700 1.0 C C67 1 0.66651000 0.66651000 0.24305000 1.0 C C68 1 0.33310100 0.33310100 0.21746300 1.0 C C69 1 0.99992900 0.99992900 0.19175500 1.0 C C70 1 0.66662800 0.66662800 0.16602400 1.0 C C71 1 0.33356200 0.33356200 0.14021100 1.0 C C72 1 0.00009000 0.00009000 0.11439700 1.0 C C73 1 0.66764500 0.66764500 0.08848400 1.0 C C74 1 0.33591700 0.33591700 0.06268600 1.0