# generated using pymatgen data_CaHf(PaH6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50953677 _cell_length_b 6.43968954 _cell_length_c 6.43968954 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf(PaH6)2 _chemical_formula_sum 'Ca2 Hf2 Pa4 H24' _cell_volume 269.94789528 _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 0.25000000 0.00000000 0.50000000 1.0 Ca Ca1 1 0.75000000 0.00000000 0.50000000 1.0 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf3 1 0.50000000 0.50000000 0.50000000 1.0 Pa Pa4 1 0.00000000 0.50000000 0.25138232 1.0 Pa Pa5 1 0.00000000 0.50000000 0.74861768 1.0 Pa Pa6 1 0.50000000 0.75138232 0.00000000 1.0 Pa Pa7 1 0.50000000 0.24861768 0.00000000 1.0 H H8 1 0.00000000 0.15574515 0.27891853 1.0 H H9 1 0.50000000 0.22108147 0.65574515 1.0 H H10 1 0.50000000 0.77891853 0.34425485 1.0 H H11 1 0.79831962 0.64598845 0.50000000 1.0 H H12 1 0.20168038 0.64598845 0.50000000 1.0 H H13 1 0.34836720 0.50000000 0.78992292 1.0 H H14 1 0.65163280 0.50000000 0.78992292 1.0 H H15 1 0.29831962 0.00000000 0.14598845 1.0 H H16 1 0.15163280 0.28992292 0.00000000 1.0 H H17 1 0.84836720 0.71007708 0.00000000 1.0 H H18 1 0.29831962 0.00000000 0.85401155 1.0 H H19 1 0.84836720 0.28992292 0.00000000 1.0 H H20 1 0.70168038 0.00000000 0.14598845 1.0 H H21 1 0.70168038 0.00000000 0.85401155 1.0 H H22 1 0.15163280 0.71007708 0.00000000 1.0 H H23 1 0.00000000 0.84425485 0.72108147 1.0 H H24 1 0.00000000 0.15574515 0.72108147 1.0 H H25 1 0.00000000 0.84425485 0.27891853 1.0 H H26 1 0.65163280 0.50000000 0.21007708 1.0 H H27 1 0.34836720 0.50000000 0.21007708 1.0 H H28 1 0.79831962 0.35401155 0.50000000 1.0 H H29 1 0.20168038 0.35401155 0.50000000 1.0 H H30 1 0.50000000 0.77891853 0.65574515 1.0 H H31 1 0.50000000 0.22108147 0.34425485 1.0