# generated using pymatgen data_CaPa2TiPd12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70105745 _cell_length_b 5.70105827 _cell_length_c 9.46993939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999522 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPa2TiPd12 _chemical_formula_sum 'Ca1 Pa2 Ti1 Pd12' _cell_volume 266.55617605 _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 0.00000000 0.00000000 0.50000000 1.0 Pa Pa1 1 0.33333300 0.66666700 0.25224124 1.0 Pa Pa2 1 0.66666700 0.33333300 0.74775876 1.0 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1.0 Pd Pd4 1 0.50000000 0.50000000 0.50000000 1.0 Pd Pd5 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd6 1 0.00000000 0.50000000 0.50000000 1.0 Pd Pd7 1 0.50000000 0.50000000 0.00000000 1.0 Pd Pd8 1 0.50000000 0.00000000 0.00000000 1.0 Pd Pd9 1 0.00000000 0.50000000 0.00000000 1.0 Pd Pd10 1 0.83102635 0.66205371 0.23946070 1.0 Pd Pd11 1 0.33794629 0.16897365 0.23946070 1.0 Pd Pd12 1 0.83102635 0.16897365 0.23946070 1.0 Pd Pd13 1 0.16897365 0.33794629 0.76053930 1.0 Pd Pd14 1 0.66205371 0.83102635 0.76053930 1.0 Pd Pd15 1 0.16897365 0.83102635 0.76053930 1.0