# generated using pymatgen data_Ca5TbPd6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71357535 _cell_length_b 4.41669735 _cell_length_c 22.25122888 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.77047602 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5TbPd6 _chemical_formula_sum 'Ca10 Tb2 Pd12' _cell_volume 557.59695180 _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 0.51370176 0.25000100 0.22732315 1.0 Ca Ca1 1 0.02970090 0.75000000 0.27226155 1.0 Ca Ca2 1 0.81366502 0.25000100 0.39341101 1.0 Ca Ca3 1 0.33426703 0.75000000 0.43879598 1.0 Ca Ca4 1 0.66247391 0.25000100 0.56035813 1.0 Ca Ca5 1 0.18462114 0.75000000 0.60587945 1.0 Ca Ca6 1 0.97048109 0.25000100 0.72715045 1.0 Ca Ca7 1 0.49305688 0.75000000 0.77336941 1.0 Ca Ca8 1 0.82091574 0.25000100 0.89473325 1.0 Ca Ca9 1 0.33165706 0.75000000 0.93970303 1.0 Tb Tb10 1 0.66388069 0.25000100 0.06059712 1.0 Tb Tb11 1 0.18277499 0.75000000 0.10644042 1.0 Pd Pd12 1 0.15430284 0.25000100 0.02129961 1.0 Pd Pd13 1 0.69203199 0.75000000 0.14674461 1.0 Pd Pd14 1 0.99423693 0.25000100 0.17202803 1.0 Pd Pd15 1 0.55292762 0.75000000 0.31996419 1.0 Pd Pd16 1 0.28788937 0.25000100 0.34384124 1.0 Pd Pd17 1 0.85501920 0.75000000 0.48762057 1.0 Pd Pd18 1 0.14187188 0.25000100 0.51125217 1.0 Pd Pd19 1 0.70948692 0.75000000 0.65490690 1.0 Pd Pd20 1 0.44640687 0.25000100 0.67906447 1.0 Pd Pd21 1 0.01265610 0.75000000 0.82154684 1.0 Pd Pd22 1 0.29940445 0.25000100 0.84656426 1.0 Pd Pd23 1 0.85257062 0.75000000 0.99514419 1.0