# generated using pymatgen data_Ba2ThCrTe7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26263700 _cell_length_b 12.80632700 _cell_length_c 19.10762100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ThCrTe7 _chemical_formula_sum 'Ba8 Th4 Cr4 Te28' _cell_volume 1532.45752121 _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 Ba Ba0 1 0.25000000 0.32212300 0.94397300 1.0 Ba Ba1 1 0.25000000 0.82212300 0.55602700 1.0 Ba Ba2 1 0.75000000 0.67787700 0.05602700 1.0 Ba Ba3 1 0.75000000 0.17787700 0.44397300 1.0 Ba Ba4 1 0.25000000 0.44681400 0.27552600 1.0 Ba Ba5 1 0.25000000 0.94681400 0.22447400 1.0 Ba Ba6 1 0.75000000 0.55318600 0.72447400 1.0 Ba Ba7 1 0.75000000 0.05318600 0.77552600 1.0 Th Th8 1 0.25000000 0.29163800 0.62459800 1.0 Th Th9 1 0.25000000 0.79163800 0.87540200 1.0 Th Th10 1 0.75000000 0.70836200 0.37540200 1.0 Th Th11 1 0.75000000 0.20836200 0.12459800 1.0 Cr Cr12 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr13 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr14 1 0.50000000 0.00000000 0.00000000 1.0 Cr Cr15 1 0.00000000 0.50000000 0.50000000 1.0 Te Te16 1 0.00235400 0.07547800 0.60157400 1.0 Te Te17 1 0.49764600 0.57547800 0.89842600 1.0 Te Te18 1 0.50235400 0.92452200 0.39842600 1.0 Te Te19 1 0.99764600 0.42452200 0.10157400 1.0 Te Te20 1 0.99764600 0.92452200 0.39842600 1.0 Te Te21 1 0.50235400 0.42452200 0.10157400 1.0 Te Te22 1 0.49764600 0.07547800 0.60157400 1.0 Te Te23 1 0.00235400 0.57547800 0.89842600 1.0 Te Te24 1 0.00275500 0.30686300 0.77129000 1.0 Te Te25 1 0.49724500 0.80686300 0.72871000 1.0 Te Te26 1 0.50275500 0.69313700 0.22871000 1.0 Te Te27 1 0.99724500 0.19313700 0.27129000 1.0 Te Te28 1 0.99724500 0.69313700 0.22871000 1.0 Te Te29 1 0.50275500 0.19313700 0.27129000 1.0 Te Te30 1 0.49724500 0.30686300 0.77129000 1.0 Te Te31 1 0.00275500 0.80686300 0.72871000 1.0 Te Te32 1 0.25000000 0.04152000 0.88202500 1.0 Te Te33 1 0.25000000 0.54152000 0.61797500 1.0 Te Te34 1 0.75000000 0.95848000 0.11797500 1.0 Te Te35 1 0.75000000 0.45848000 0.38202500 1.0 Te Te36 1 0.25000000 0.32924800 0.45924500 1.0 Te Te37 1 0.25000000 0.82924800 0.04075500 1.0 Te Te38 1 0.75000000 0.67075200 0.54075500 1.0 Te Te39 1 0.75000000 0.17075200 0.95924500 1.0 Te Te40 1 0.25000000 0.63745100 0.41549600 1.0 Te Te41 1 0.25000000 0.13745100 0.08450400 1.0 Te Te42 1 0.75000000 0.36254900 0.58450400 1.0 Te Te43 1 0.75000000 0.86254900 0.91549600 1.0