# generated using pymatgen data_Ca5CdCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90543596 _cell_length_b 7.90543596 _cell_length_c 9.23616315 _cell_angle_alpha 115.29548928 _cell_angle_beta 115.29548928 _cell_angle_gamma 89.97886270 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5CdCu2 _chemical_formula_sum 'Ca10 Cd2 Cu4' _cell_volume 459.96583745 _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 0.02941634 0.52941634 0.72074652 1.0 Ca Ca1 1 0.69131813 0.19131813 0.72072042 1.0 Ca Ca2 1 0.19139457 0.02946629 0.72077776 1.0 Ca Ca3 1 0.52946629 0.69139457 0.72077776 1.0 Ca Ca4 1 0.97058366 0.47058366 0.27925348 1.0 Ca Ca5 1 0.30868187 0.80868187 0.27927958 1.0 Ca Ca6 1 0.80860543 0.97053371 0.27922224 1.0 Ca Ca7 1 0.47053371 0.30860543 0.27922224 1.0 Ca Ca8 1 0.50000000 0.50000000 0.00000000 1.0 Ca Ca9 1 -0.00000000 0.00000000 0.00000000 1.0 Cd Cd10 1 0.25009297 0.24990703 0.50000000 1.0 Cd Cd11 1 0.74990703 0.75009297 0.50000000 1.0 Cu Cu12 1 0.88893207 0.61106793 0.00000000 1.0 Cu Cu13 1 0.11106793 0.38893207 0.00000000 1.0 Cu Cu14 1 0.61105864 0.11105864 -0.00017653 1.0 Cu Cu15 1 0.38894136 0.88894136 0.00017653 1.0