# generated using pymatgen data_Ca3Ge(AsPd4)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81164280 _cell_length_b 8.81164237 _cell_length_c 8.82481862 _cell_angle_alpha 59.95052281 _cell_angle_beta 59.95052442 _cell_angle_gamma 60.09895974 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Ge(AsPd4)5 _chemical_formula_sum 'Ca3 Ge1 As5 Pd20' _cell_volume 484.50985388 _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 Ca Ca0 1 0.24955632 0.24955632 0.25044368 1.0 Ca Ca1 1 0.74955632 0.74955632 0.75044368 1.0 Ca Ca2 1 0.00057210 0.00057210 0.99942790 1.0 Ge Ge3 1 0.26541880 0.26541880 0.73458120 1.0 As As4 1 0.73558122 0.26351871 0.26441878 1.0 As As5 1 0.26351871 0.73558122 0.26441878 1.0 As As6 1 0.26351871 0.73558122 0.73648129 1.0 As As7 1 0.73635990 0.73635990 0.26364010 1.0 As As8 1 0.73558122 0.26351871 0.73648129 1.0 Pd Pd9 1 0.99970329 0.65029605 0.00029671 1.0 Pd Pd10 1 0.38377477 0.84704270 0.38459077 1.0 Pd Pd11 1 0.99970329 0.65029605 0.34970395 1.0 Pd Pd12 1 0.34862420 0.00072809 0.99927191 1.0 Pd Pd13 1 0.65280103 0.34996843 0.99861577 1.0 Pd Pd14 1 0.61569685 0.15153343 0.61638486 1.0 Pd Pd15 1 0.65029605 0.99970329 0.34970395 1.0 Pd Pd16 1 0.84704270 0.38377477 0.38459077 1.0 Pd Pd17 1 0.34862420 0.00072809 0.65137580 1.0 Pd Pd18 1 0.38361514 0.38361514 0.38430315 1.0 Pd Pd19 1 0.00138423 0.00138423 0.65003157 1.0 Pd Pd20 1 0.00138423 0.00138423 0.34719897 1.0 Pd Pd21 1 0.61540923 0.61540923 0.61622523 1.0 Pd Pd22 1 0.15153343 0.61569685 0.61638486 1.0 Pd Pd23 1 0.61540923 0.61540923 0.15295730 1.0 Pd Pd24 1 0.34996843 0.65280103 0.99861577 1.0 Pd Pd25 1 0.00072809 0.34862420 0.99927191 1.0 Pd Pd26 1 0.38361514 0.38361514 0.84846657 1.0 Pd Pd27 1 0.00072809 0.34862420 0.65137580 1.0 Pd Pd28 1 0.65029605 0.99970329 0.00029671 1.0