# generated using pymatgen data_Ba2PaTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16642666 _cell_length_b 6.16642666 _cell_length_c 17.18587817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2PaTe6 _chemical_formula_sum 'Ba4 Pa2 Te12' _cell_volume 653.48988630 _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 0.00000000 0.00000000 0.13797142 1.0 Ba Ba1 1 0.50000000 0.50000000 0.63797142 1.0 Ba Ba2 1 0.50000000 0.50000000 0.36202858 1.0 Ba Ba3 1 0.00000000 0.00000000 0.86202858 1.0 Pa Pa4 1 0.00000000 0.00000000 0.50000000 1.0 Pa Pa5 1 0.50000000 0.50000000 0.00000000 1.0 Te Te6 1 0.25872176 0.50000000 0.16434768 1.0 Te Te7 1 0.74127824 0.50000000 0.16434768 1.0 Te Te8 1 0.00000000 0.75872176 0.66434768 1.0 Te Te9 1 0.00000000 0.24127824 0.66434768 1.0 Te Te10 1 0.24127824 0.00000000 0.33565232 1.0 Te Te11 1 0.75872176 0.00000000 0.33565232 1.0 Te Te12 1 0.50000000 0.74127824 0.83565232 1.0 Te Te13 1 0.50000000 0.25872176 0.83565232 1.0 Te Te14 1 0.00000000 0.50000000 0.96742372 1.0 Te Te15 1 0.00000000 0.50000000 0.46742372 1.0 Te Te16 1 0.50000000 0.00000000 0.53257628 1.0 Te Te17 1 0.50000000 0.00000000 0.03257628 1.0