# generated using pymatgen data_Ta4BeTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75072773 _cell_length_b 10.93717482 _cell_length_c 18.93727532 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4BeTe4 _chemical_formula_sum 'Ta16 Be4 Te16' _cell_volume 983.97211003 _cell_formula_units_Z 4 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 0.50000000 0.56060055 0.38726809 1.0 Ta Ta1 1 0.50000000 0.43939945 0.61273191 1.0 Ta Ta2 1 0.50000000 0.06060055 0.11273191 1.0 Ta Ta3 1 0.50000000 0.93939945 0.88726809 1.0 Ta Ta4 1 0.50000000 0.69613883 0.53470989 1.0 Ta Ta5 1 0.50000000 0.30386117 0.46529011 1.0 Ta Ta6 1 0.50000000 0.19613883 0.96529011 1.0 Ta Ta7 1 0.50000000 0.80386117 0.03470989 1.0 Ta Ta8 1 0.00000000 0.68147342 0.44462138 1.0 Ta Ta9 1 0.00000000 0.31852658 0.55537862 1.0 Ta Ta10 1 0.00000000 0.18147342 0.05537862 1.0 Ta Ta11 1 0.00000000 0.81852658 0.94462138 1.0 Ta Ta12 1 0.00000000 0.40423688 0.39569772 1.0 Ta Ta13 1 0.00000000 0.59576312 0.60430228 1.0 Ta Ta14 1 0.00000000 0.90423688 0.10430228 1.0 Ta Ta15 1 0.00000000 0.09576312 0.89569772 1.0 Be Be16 1 0.25003775 0.50000000 0.50000000 1.0 Be Be17 1 0.74996225 0.00000000 0.00000000 1.0 Be Be18 1 0.74996225 0.50000000 0.50000000 1.0 Be Be19 1 0.25003775 0.00000000 0.00000000 1.0 Te Te20 1 0.00000000 0.84522749 0.56150998 1.0 Te Te21 1 0.00000000 0.15477251 0.43849002 1.0 Te Te22 1 0.00000000 0.34522749 0.93849002 1.0 Te Te23 1 0.00000000 0.65477251 0.06150998 1.0 Te Te24 1 0.50000000 0.33236178 0.31620564 1.0 Te Te25 1 0.50000000 0.66763822 0.68379436 1.0 Te Te26 1 0.50000000 0.83236178 0.18379436 1.0 Te Te27 1 0.50000000 0.16763822 0.81620564 1.0 Te Te28 1 0.50000000 0.81964099 0.40236722 1.0 Te Te29 1 0.50000000 0.18035901 0.59763278 1.0 Te Te30 1 0.50000000 0.31964099 0.09763278 1.0 Te Te31 1 0.50000000 0.68035901 0.90236722 1.0 Te Te32 1 0.00000000 0.60584677 0.30116924 1.0 Te Te33 1 0.00000000 0.39415323 0.69883076 1.0 Te Te34 1 0.00000000 0.10584677 0.19883076 1.0 Te Te35 1 0.00000000 0.89415323 0.80116924 1.0