# generated using pymatgen data_Pr4SiPPd28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90761950 _cell_length_b 8.90761950 _cell_length_c 7.11662812 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4SiPPd28 _chemical_formula_sum 'Pr4 Si1 P1 Pd28' _cell_volume 564.67373415 _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 Pr Pr0 1 0.50000000 0.00000000 0.93534305 1.0 Pr Pr1 1 0.00000000 0.50000000 0.06554549 1.0 Pr Pr2 1 0.00000000 0.00000000 0.50027471 1.0 Pr Pr3 1 0.50000000 0.50000000 0.50027471 1.0 Si Si4 1 0.00000000 0.50000000 0.55114090 1.0 P P5 1 0.50000000 0.00000000 0.44873321 1.0 Pd Pd6 1 0.33618070 0.83618070 0.61295899 1.0 Pd Pd7 1 0.33618070 0.16381930 0.61295899 1.0 Pd Pd8 1 0.66381930 0.83618070 0.61295899 1.0 Pd Pd9 1 0.66381930 0.16381930 0.61295899 1.0 Pd Pd10 1 0.16602104 0.66602104 0.38578648 1.0 Pd Pd11 1 0.16602104 0.33397896 0.38578648 1.0 Pd Pd12 1 0.83397896 0.66602104 0.38578648 1.0 Pd Pd13 1 0.83397896 0.33397896 0.38578648 1.0 Pd Pd14 1 0.50000000 0.77219447 0.25879593 1.0 Pd Pd15 1 0.50000000 0.22780553 0.25879593 1.0 Pd Pd16 1 0.27219447 0.00000000 0.25879593 1.0 Pd Pd17 1 0.72780553 0.00000000 0.25879593 1.0 Pd Pd18 1 0.00000000 0.72909549 0.74200908 1.0 Pd Pd19 1 0.00000000 0.27090451 0.74200908 1.0 Pd Pd20 1 0.22909549 0.50000000 0.74200908 1.0 Pd Pd21 1 0.77090451 0.50000000 0.74200908 1.0 Pd Pd22 1 0.50000000 0.34722849 0.85705442 1.0 Pd Pd23 1 0.50000000 0.65277151 0.85705442 1.0 Pd Pd24 1 0.84722849 0.00000000 0.85705442 1.0 Pd Pd25 1 0.15277151 0.00000000 0.85705442 1.0 Pd Pd26 1 0.00000000 0.15130994 0.14336408 1.0 Pd Pd27 1 0.00000000 0.84869006 0.14336408 1.0 Pd Pd28 1 0.65130994 0.50000000 0.14336408 1.0 Pd Pd29 1 0.34869006 0.50000000 0.14336408 1.0 Pd Pd30 1 0.24925864 0.74925864 0.99970400 1.0 Pd Pd31 1 0.24925864 0.25074136 0.99970400 1.0 Pd Pd32 1 0.75074136 0.74925864 0.99970400 1.0 Pd Pd33 1 0.75074136 0.25074136 0.99970400 1.0