# generated using pymatgen data_BaPr3(PPd3)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50544267 _cell_length_b 8.50544267 _cell_length_c 8.50544267 _cell_angle_alpha 90.08032854 _cell_angle_beta 90.08032854 _cell_angle_gamma 90.08032854 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPr3(PPd3)8 _chemical_formula_sum 'Ba1 Pr3 P8 Pd24' _cell_volume 615.30363914 _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 Ba Ba0 1 0.00000000 0.00000000 0.00000000 1.0 Pr Pr1 1 0.50000000 0.50000000 0.00000000 1.0 Pr Pr2 1 0.50000000 0.00000000 0.50000000 1.0 Pr Pr3 1 0.00000000 0.50000000 0.50000000 1.0 P P4 1 0.80310216 0.31024730 0.18939024 1.0 P P5 1 0.18939024 0.80310216 0.31024730 1.0 P P6 1 0.69347656 0.69347656 0.69347656 1.0 P P7 1 0.31024730 0.18939024 0.80310216 1.0 P P8 1 0.19689784 0.68975270 0.81060976 1.0 P P9 1 0.81060976 0.19689784 0.68975270 1.0 P P10 1 0.30652344 0.30652344 0.30652344 1.0 P P11 1 0.68975270 0.81060976 0.19689784 1.0 Pd Pd12 1 0.41728463 0.84899627 0.16581491 1.0 Pd Pd13 1 0.57771459 0.35023910 0.33624256 1.0 Pd Pd14 1 0.07993609 0.15778737 0.65420349 1.0 Pd Pd15 1 0.92452807 0.64833676 0.83137427 1.0 Pd Pd16 1 0.16581491 0.41728463 0.84899627 1.0 Pd Pd17 1 0.33624256 0.57771459 0.35023910 1.0 Pd Pd18 1 0.65420349 0.07993609 0.15778737 1.0 Pd Pd19 1 0.83137427 0.92452807 0.64833676 1.0 Pd Pd20 1 0.84899627 0.16581491 0.41728463 1.0 Pd Pd21 1 0.35023910 0.33624256 0.57771459 1.0 Pd Pd22 1 0.15778737 0.65420349 0.07993609 1.0 Pd Pd23 1 0.64833676 0.83137427 0.92452807 1.0 Pd Pd24 1 0.58271537 0.15100373 0.83418509 1.0 Pd Pd25 1 0.42228541 0.64976090 0.66375744 1.0 Pd Pd26 1 0.92006391 0.84221263 0.34579651 1.0 Pd Pd27 1 0.07547193 0.35166324 0.16862573 1.0 Pd Pd28 1 0.83418509 0.58271537 0.15100373 1.0 Pd Pd29 1 0.66375744 0.42228541 0.64976090 1.0 Pd Pd30 1 0.34579651 0.92006391 0.84221263 1.0 Pd Pd31 1 0.16862573 0.07547193 0.35166324 1.0 Pd Pd32 1 0.15100373 0.83418509 0.58271537 1.0 Pd Pd33 1 0.64976090 0.66375744 0.42228541 1.0 Pd Pd34 1 0.84221263 0.34579651 0.92006391 1.0 Pd Pd35 1 0.35166324 0.16862573 0.07547193 1.0