# generated using pymatgen data_CaThGePd14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94172024 _cell_length_b 8.91181755 _cell_length_c 7.08552604 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaThGePd14 _chemical_formula_sum 'Ca2 Th2 Ge2 Pd28' _cell_volume 564.62416794 _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 Ca Ca0 1 0.00000000 0.50000000 0.06333540 1.0 Ca Ca1 1 0.50000000 0.50000000 0.50055349 1.0 Th Th2 1 0.50000000 0.00000000 0.93378387 1.0 Th Th3 1 0.00000000 0.00000000 0.49997591 1.0 Ge Ge4 1 0.50000000 0.00000000 0.45005603 1.0 Ge Ge5 1 0.00000000 0.50000000 0.55005515 1.0 Pd Pd6 1 0.33144592 0.82947620 0.62095923 1.0 Pd Pd7 1 0.33144592 0.17052380 0.62095923 1.0 Pd Pd8 1 0.66855408 0.82947620 0.62095923 1.0 Pd Pd9 1 0.66855408 0.17052380 0.62095923 1.0 Pd Pd10 1 0.17042924 0.66769188 0.37854083 1.0 Pd Pd11 1 0.17042924 0.33230812 0.37854083 1.0 Pd Pd12 1 0.82957076 0.66769188 0.37854083 1.0 Pd Pd13 1 0.82957076 0.33230812 0.37854083 1.0 Pd Pd14 1 0.50000000 0.76868258 0.25162420 1.0 Pd Pd15 1 0.50000000 0.23131742 0.25162420 1.0 Pd Pd16 1 0.26618674 0.00000000 0.25635960 1.0 Pd Pd17 1 0.73381326 0.00000000 0.25635960 1.0 Pd Pd18 1 0.00000000 0.73528069 0.74283343 1.0 Pd Pd19 1 0.00000000 0.26471931 0.74283343 1.0 Pd Pd20 1 0.23281337 0.50000000 0.74665487 1.0 Pd Pd21 1 0.76718663 0.50000000 0.74665487 1.0 Pd Pd22 1 0.50000000 0.34796408 0.85856807 1.0 Pd Pd23 1 0.50000000 0.65203592 0.85856807 1.0 Pd Pd24 1 0.84897838 0.00000000 0.85434206 1.0 Pd Pd25 1 0.15102162 0.00000000 0.85434206 1.0 Pd Pd26 1 0.00000000 0.15130920 0.14734491 1.0 Pd Pd27 1 0.00000000 0.84869080 0.14734491 1.0 Pd Pd28 1 0.65089858 0.50000000 0.14251449 1.0 Pd Pd29 1 0.34910142 0.50000000 0.14251449 1.0 Pd Pd30 1 0.25046432 0.75086230 0.00093966 1.0 Pd Pd31 1 0.25046432 0.24913770 0.00093966 1.0 Pd Pd32 1 0.74953568 0.75086230 0.00093966 1.0 Pd Pd33 1 0.74953568 0.24913770 0.00093966 1.0