# generated using pymatgen data_BaTe7Mo6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.40969917 _cell_length_b 10.40975156 _cell_length_c 10.40977339 _cell_angle_alpha 58.27203515 _cell_angle_beta 58.27310044 _cell_angle_gamma 58.27328526 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTe7Mo6 _chemical_formula_sum 'Ba2 Te14 Mo12' _cell_volume 766.08087149 _cell_formula_units_Z 2 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 Ba Ba0 1 0.63278314 0.63280111 0.63281242 1.0 Ba Ba1 1 0.36719328 0.36720455 0.36719940 1.0 Te Te2 1 0.42855852 0.78837572 0.16925292 1.0 Te Te3 1 0.16923370 0.42864134 0.78834224 1.0 Te Te4 1 0.78834536 0.16923657 0.42860348 1.0 Te Te5 1 0.57135902 0.21168805 0.83071856 1.0 Te Te6 1 0.83075681 0.57133233 0.21167211 1.0 Te Te7 1 0.21170138 0.83073139 0.57135584 1.0 Te Te8 1 0.62006512 0.98081605 0.26529588 1.0 Te Te9 1 0.26531032 0.62004680 0.98085184 1.0 Te Te10 1 0.98081935 0.26528709 0.62007186 1.0 Te Te11 1 0.37993753 0.01914269 0.73471305 1.0 Te Te12 1 0.73472210 0.37993068 0.01918103 1.0 Te Te13 1 0.01919158 0.73474866 0.37991048 1.0 Te Te14 1 0.78022911 0.78022344 0.78021980 1.0 Te Te15 1 0.21983647 0.21977904 0.21982772 1.0 Mo Mo16 1 0.70886820 0.88384354 0.00903995 1.0 Mo Mo17 1 0.00905735 0.70887992 0.88383815 1.0 Mo Mo18 1 0.88383072 0.00906378 0.70886703 1.0 Mo Mo19 1 0.29112771 0.11617719 0.99093508 1.0 Mo Mo20 1 0.99094682 0.29113923 0.11615517 1.0 Mo Mo21 1 0.11616693 0.99094462 0.29115080 1.0 Mo Mo22 1 0.94327817 0.80934710 0.11045083 1.0 Mo Mo23 1 0.11046066 0.94326407 0.80935946 1.0 Mo Mo24 1 0.80935654 0.11045347 0.94327424 1.0 Mo Mo25 1 0.05671479 0.19064742 0.88953865 1.0 Mo Mo26 1 0.88952652 0.05671719 0.19064665 1.0 Mo Mo27 1 0.19062279 0.88953596 0.05671736 1.0