# generated using pymatgen data_Ca4SnGe2Pd27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.93764275 _cell_length_b 8.93764275 _cell_length_c 7.04631277 _cell_angle_alpha 90.42704739 _cell_angle_beta 90.42704739 _cell_angle_gamma 89.19973712 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4SnGe2Pd27 _chemical_formula_sum 'Ca4 Sn1 Ge2 Pd27' _cell_volume 562.78399948 _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 0.50973145 0.00973145 0.93407992 1.0 Ca Ca1 1 0.99026855 0.49026855 0.06592008 1.0 Ca Ca2 1 0.00045316 0.99954684 0.50000000 1.0 Ca Ca3 1 0.49954684 0.50045316 0.50000000 1.0 Sn Sn4 1 0.25000000 0.75000000 0.00000000 1.0 Ge Ge5 1 0.50600472 0.00600472 0.44872532 1.0 Ge Ge6 1 0.99399528 0.49399528 0.55127468 1.0 Pd Pd7 1 0.33575256 0.83575256 0.60948461 1.0 Pd Pd8 1 0.33121637 0.17213000 0.62321202 1.0 Pd Pd9 1 0.67213000 0.83121637 0.62321202 1.0 Pd Pd10 1 0.67292251 0.17292251 0.62451007 1.0 Pd Pd11 1 0.16424744 0.66424744 0.39051539 1.0 Pd Pd12 1 0.16878363 0.32787000 0.37678798 1.0 Pd Pd13 1 0.82787000 0.66878363 0.37678798 1.0 Pd Pd14 1 0.82707749 0.32707749 0.37548993 1.0 Pd Pd15 1 0.50344455 0.76980274 0.25270156 1.0 Pd Pd16 1 0.50012245 0.23585520 0.25261238 1.0 Pd Pd17 1 0.26980274 0.00344455 0.25270156 1.0 Pd Pd18 1 0.73585520 0.00012245 0.25261238 1.0 Pd Pd19 1 0.99655545 0.73019726 0.74729844 1.0 Pd Pd20 1 0.99987755 0.26414480 0.74738762 1.0 Pd Pd21 1 0.23019726 0.49655545 0.74729844 1.0 Pd Pd22 1 0.76414480 0.49987755 0.74738762 1.0 Pd Pd23 1 0.49805778 0.35081783 0.85919744 1.0 Pd Pd24 1 0.49761198 0.65736668 0.85667317 1.0 Pd Pd25 1 0.85081783 0.99805778 0.85919744 1.0 Pd Pd26 1 0.15736668 0.99761198 0.85667317 1.0 Pd Pd27 1 0.00194222 0.14918217 0.14080256 1.0 Pd Pd28 1 0.00238802 0.84263332 0.14332683 1.0 Pd Pd29 1 0.64918217 0.50194222 0.14080256 1.0 Pd Pd30 1 0.34263332 0.50238802 0.14332683 1.0 Pd Pd31 1 0.25000000 0.25000000 0.00000000 1.0 Pd Pd32 1 0.75000000 0.75000000 0.00000000 1.0 Pd Pd33 1 0.75000000 0.25000000 0.00000000 1.0